4143-63-9,MFCD00017687
Catalog No.:AA00BZ80

4143-63-9 | 2-(4-Hydroxyphenyl)-4H-chromen-4-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)(T)
in stock  
$140.00   $98.00
- +
5g
>98.0%(GC)(T)
in stock  
$491.00   $344.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BZ80
Chemical Name:
2-(4-Hydroxyphenyl)-4H-chromen-4-one
CAS Number:
4143-63-9
Molecular Formula:
C15H10O3
Molecular Weight:
238.2381
MDL Number:
MFCD00017687
SMILES:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cccc2
NSC Number:
22357
Properties
Properties
 
Form:
Solid  
MP:
269-270℃(Solv: ethanol (64-17-5))  

Computed Properties
 
Complexity:
353  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartWong,IrisL.K.;Chan,Kin-Fai;Ka,HingTsang;Chi,YinLam;Zhao,Yunzhe;Tak,HangChan;Chow,LarryMingCheung[JournalofMedicinalChemistry,2009,vol.52,#17,p.5311-5322]

[2]CurrentPatentAssignee:MCGILLUNIVERSITY;HONGKONGPOLYTECHNICUNIVERSITY-WO2007/135592,2007,A1Locationinpatent:Page/Pagecolumn18;37

[1]Grossmann;v.Kostanecki[ChemischeBerichte,1900,vol.33,p.2516]

[1]Locationinpatent:experimentalpartWong,IrisL.K.;Chan,Kin-Fai;Ka,HingTsang;Chi,YinLam;Zhao,Yunzhe;Tak,HangChan;Chow,LarryMingCheung[JournalofMedicinalChemistry,2009,vol.52,#17,p.5311-5322]

[1]Patent:WO2013/127361,2013,A1.Locationinpatent:Page/Pagecolumn19;94

[2]JournalofMedicinalChemistry,2019,vol.62,p.8578-8608

[1]CurrentPatentAssignee:JIANGXINORMALUNIVERSITY-CN105294627,2016,ALocationinpatent:Paragraph0068;0069;0070;0071;0072

Literature

Title: Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor.

Journal: Bioorganic & medicinal chemistry 20141101

Title: Sulfation of selected mono-hydroxyflavones by sulfotransferases in vitro: a species and gender comparison.

Journal: The Journal of pharmacy and pharmacology 20110701

Title: Empirically predicted 13C NMR chemical shifts for 8-hydroxyflavone starting from 7,8,4'-trihydroxyflavone and from 7,8-dihydroxyflavone.

Journal: Magnetic resonance in chemistry : MRC 20080701

Title: Microbial metabolism part 9. Structure and antioxidant significance of the metabolites of 5,7-dihydroxyflavone (chrysin), and 5- and 6-hydroxyflavones.

Journal: Chemical & pharmaceutical bulletin 20080401

Title: A predictive tool for assessing (13)C NMR chemical shifts of flavonoids.

Journal: Magnetic resonance in chemistry : MRC 20071001

Title: Fragmentation of 3-hydroxyflavone; a computational and mass spectrometric study.

Journal: Rapid communications in mass spectrometry : RCM 20070101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Microbial metabolism. Part 6. Metabolites of 3- and 7-hydroxyflavones.

Journal: Chemical & pharmaceutical bulletin 20060301

Title: Human gut microbial degradation of flavonoids: structure-function relationships.

Journal: Journal of agricultural and food chemistry 20050518

Title: Chalcones and flavonoids as anti-tuberculosis agents.

Journal: Bioorganic & medicinal chemistry 20020801

Title: Effects of flavonoid phytochemicals on cortisol production and on activities of steroidogenic enzymes in human adrenocortical H295R cells.

Journal: The Journal of steroid biochemistry and molecular biology 20020301

Title: Flavonolignan and flavone inhibitors of a Staphylococcus aureus multidrug resistance pump: structure-activity relationships.

Journal: Journal of medicinal chemistry 20010118

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SDS
Historical Records
Tags:4143-63-9 Molecular Formula|4143-63-9 MDL|4143-63-9 SMILES|4143-63-9 2-(4-Hydroxyphenyl)-4H-chromen-4-one
Catalog No.: AA00BZ80
4143-63-9,MFCD00017687
4143-63-9 | 2-(4-Hydroxyphenyl)-4H-chromen-4-one
Pack Size: 1g
Purity: >98.0%(GC)(T)
in stock
$140.00 $98.00
Pack Size: 5g
Purity: >98.0%(GC)(T)
in stock
$491.00 $344.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BZ80
Chemical Name: 2-(4-Hydroxyphenyl)-4H-chromen-4-one
CAS Number: 4143-63-9
Molecular Formula: C15H10O3
Molecular Weight: 238.2381
MDL Number: MFCD00017687
SMILES: Oc1ccc(cc1)c1cc(=O)c2c(o1)cccc2
NSC Number: 22357
Properties
Form: Solid  
MP: 269-270℃(Solv: ethanol (64-17-5))  
Complexity: 353  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
55400-73-2    4143-63-9    958457-93-7 

[1]Locationinpatent:experimentalpartWong,IrisL.K.;Chan,Kin-Fai;Ka,HingTsang;Chi,YinLam;Zhao,Yunzhe;Tak,HangChan;Chow,LarryMingCheung[JournalofMedicinalChemistry,2009,vol.52,#17,p.5311-5322]

[2]CurrentPatentAssignee:MCGILLUNIVERSITY;HONGKONGPOLYTECHNICUNIVERSITY-WO2007/135592,2007,A1Locationinpatent:Page/Pagecolumn18;37

6290-24-0    4143-63-9 

[1]Grossmann;v.Kostanecki[ChemischeBerichte,1900,vol.33,p.2516]

34604-52-9    4143-63-9    1187448-55-0 

[1]Locationinpatent:experimentalpartWong,IrisL.K.;Chan,Kin-Fai;Ka,HingTsang;Chi,YinLam;Zhao,Yunzhe;Tak,HangChan;Chow,LarryMingCheung[JournalofMedicinalChemistry,2009,vol.52,#17,p.5311-5322]

101-32-6    4143-63-9    1451740-49-0 

[1]Patent:WO2013/127361,2013,A1.Locationinpatent:Page/Pagecolumn19;94

[2]JournalofMedicinalChemistry,2019,vol.62,p.8578-8608

123-08-0    582-24-1    4143-63-9 

[1]CurrentPatentAssignee:JIANGXINORMALUNIVERSITY-CN105294627,2016,ALocationinpatent:Paragraph0068;0069;0070;0071;0072

Literature fold

Title: Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor.

Journal: Bioorganic & medicinal chemistry20141101

Title: Sulfation of selected mono-hydroxyflavones by sulfotransferases in vitro: a species and gender comparison.

Journal: The Journal of pharmacy and pharmacology20110701

Title: Empirically predicted 13C NMR chemical shifts for 8-hydroxyflavone starting from 7,8,4'-trihydroxyflavone and from 7,8-dihydroxyflavone.

Journal: Magnetic resonance in chemistry : MRC20080701

Title: Microbial metabolism part 9. Structure and antioxidant significance of the metabolites of 5,7-dihydroxyflavone (chrysin), and 5- and 6-hydroxyflavones.

Journal: Chemical & pharmaceutical bulletin20080401

Title: A predictive tool for assessing (13)C NMR chemical shifts of flavonoids.

Journal: Magnetic resonance in chemistry : MRC20071001

Title: Fragmentation of 3-hydroxyflavone; a computational and mass spectrometric study.

Journal: Rapid communications in mass spectrometry : RCM20070101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Microbial metabolism. Part 6. Metabolites of 3- and 7-hydroxyflavones.

Journal: Chemical & pharmaceutical bulletin20060301

Title: Human gut microbial degradation of flavonoids: structure-function relationships.

Journal: Journal of agricultural and food chemistry20050518

Title: Chalcones and flavonoids as anti-tuberculosis agents.

Journal: Bioorganic & medicinal chemistry20020801

Title: Effects of flavonoid phytochemicals on cortisol production and on activities of steroidogenic enzymes in human adrenocortical H295R cells.

Journal: The Journal of steroid biochemistry and molecular biology20020301

Title: Flavonolignan and flavone inhibitors of a Staphylococcus aureus multidrug resistance pump: structure-activity relationships.

Journal: Journal of medicinal chemistry20010118

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