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4512-00-9,MFCD00014640
Catalog No.:AA00DIFV

4512-00-9 | 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$40.00   $28.00
- +
5g
98%
in stock  
$130.00   $91.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DIFV
Chemical Name:
3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE
CAS Number:
4512-00-9
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
MDL Number:
MFCD00014640
SMILES:
Oc1nnc(c(n1)c1ccccc1)c1ccccc1
Properties
Computed Properties
 
Complexity:
402  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Metze;Meyer[ChemischeBerichte,1957,vol.90,p.481,484]

[2]Konno,Shoetsu;Yokoyama,Masaaki;Yamanaka,Hiroshi[Heterocycles,1982,vol.19,#10,p.1865-1868]

[3]Konno,Shoetsu;Yokoyama,Masaaki;Yamanaka,Hiroshi[Heterocycles,1982,vol.19,#10,p.1865-1868]

[4]Yokoyama,Masaaki;Takaharu,Etsuko;Aizawa,Yuichi;Konno,Shoetsu[Heterocycles,1983,vol.20,#1,p.153]

[1]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

[2]Laaksoetal.[Tetrahedron,1957,vol.1,p.103,109]

[1]Laaksoetal.[Tetrahedron,1957,vol.1,p.103,109]

[2]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.240,242]

[1]Armand,J.;Chekir,K.;Pinson,J.[JournalofHeterocyclicChemistry,1980,vol.17,p.1237-1240]

[2]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.1166,1171][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1954,vol.238,p.1134]

[3]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.1166,1171][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1954,vol.238,p.1134]

[1]Arrous,S.;Boudebouz,I.;Parunov,I.V.[RussianJournalofOrganicChemistry,2019,vol.55,#12,p.1874-1877][Zh.Org.Khim.,2019,vol.55,#12,p.1883-1887,5]

[2]Polonovski;Pesson[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1951,vol.232,p.1260]Baehr[ZeitschriftfurAnorganischeundAllgemeineChemie,1953,vol.273,p.325,331]

[3]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

[4]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

Literature

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: Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.

Journal: Journal of medicinal chemistry 20030703

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SDS
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Tags:4512-00-9 Molecular Formula|4512-00-9 MDL|4512-00-9 SMILES|4512-00-9 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE
Catalog No.: AA00DIFV
4512-00-9,MFCD00014640
4512-00-9 | 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE
Pack Size： 1g
Purity： 98%
in stock
$40.00 $28.00
Pack Size： 5g
Purity： 98%
in stock
$130.00 $91.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00DIFV
Chemical Name: 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE
CAS Number: 4512-00-9
Molecular Formula: C15H11N3O
Molecular Weight: 249.2673
MDL Number: MFCD00014640
SMILES: Oc1nnc(c(n1)c1ccccc1)c1ccccc1
Properties
Complexity: 402  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 2  
XLogP3: 2.6  
Downstream Synthesis Route
24108-37-0    4512-00-9 

[1]Metze;Meyer[ChemischeBerichte,1957,vol.90,p.481,484]

[2]Konno,Shoetsu;Yokoyama,Masaaki;Yamanaka,Hiroshi[Heterocycles,1982,vol.19,#10,p.1865-1868]

[3]Konno,Shoetsu;Yokoyama,Masaaki;Yamanaka,Hiroshi[Heterocycles,1982,vol.19,#10,p.1865-1868]

[4]Yokoyama,Masaaki;Takaharu,Etsuko;Aizawa,Yuichi;Konno,Shoetsu[Heterocycles,1983,vol.20,#1,p.153]

4512-00-9    21134-91-8 

[1]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

[2]Laaksoetal.[Tetrahedron,1957,vol.1,p.103,109]

4512-00-9    34177-11-2 

[1]Laaksoetal.[Tetrahedron,1957,vol.1,p.103,109]

[2]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.240,242]

4512-00-9    13163-00-3 

[1]Armand,J.;Chekir,K.;Pinson,J.[JournalofHeterocyclicChemistry,1980,vol.17,p.1237-1240]

[2]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.1166,1171][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1954,vol.238,p.1134]

[3]Polonovskietal.[BulletindelaSocieteChimiquedeFrance,1955,p.1166,1171][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1954,vol.238,p.1134]

37469-24-2    4512-00-9 

[1]Arrous,S.;Boudebouz,I.;Parunov,I.V.[RussianJournalofOrganicChemistry,2019,vol.55,#12,p.1874-1877][Zh.Org.Khim.,2019,vol.55,#12,p.1883-1887,5]

[2]Polonovski;Pesson[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1951,vol.232,p.1260]Baehr[ZeitschriftfurAnorganischeundAllgemeineChemie,1953,vol.273,p.325,331]

[3]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

[4]Gianturco[GazzettaChimicaItaliana,1952,vol.82,p.595,599]

Literature fold

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: Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors.

Journal: Journal of medicinal chemistry20030703

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