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116423-07-5,MFCD02628165
Catalog No.:AA000CDM

116423-07-5 | 3-(3,5-Dimethylisoxazol-4-yl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$86.00   $60.00
- +
250mg
95%
in stock  
$113.00   $79.00
- +
1g
95%
in stock  
$123.00   $86.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000CDM
Chemical Name:
3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
CAS Number:
116423-07-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD02628165
SMILES:
OC(=O)CCc1c(C)noc1C
Properties
Computed Properties
 
Complexity:
172  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.9  

Downstream Synthesis Route

[1]March[AnnalesdeChimie(Cachan,France),1902,vol.<7>26,p.305][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1901,vol.132,p.697]

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

[2]CurrentPatentAssignee:PFIZERINC-US2005/154024,2005,A1Locationinpatent:Page/Pagecolumn27-28

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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

Quotation Request
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SDS
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Tags:116423-07-5 Molecular Formula|116423-07-5 MDL|116423-07-5 SMILES|116423-07-5 3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
Catalog No.: AA000CDM
116423-07-5,MFCD02628165
116423-07-5 | 3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
Pack Size： 100mg
Purity： 95%
in stock
$86.00 $60.00
Pack Size： 250mg
Purity： 95%
in stock
$113.00 $79.00
Pack Size： 1g
Purity： 95%
in stock
$123.00 $86.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000CDM
Chemical Name: 3-(3,5-Dimethylisoxazol-4-yl)propanoic acid
CAS Number: 116423-07-5
Molecular Formula: C8H11NO3
Molecular Weight: 169.1778
MDL Number: MFCD02628165
SMILES: OC(=O)CCc1c(C)noc1C
Properties
Complexity: 172  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 3  
XLogP3: 0.9  
Downstream Synthesis Route
27428-42-8    116423-07-5 

[1]March[AnnalesdeChimie(Cachan,France),1902,vol.<7>26,p.305][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1901,vol.132,p.697]

116423-07-5    358721-54-7 

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

[2]CurrentPatentAssignee:PFIZERINC-US2005/154024,2005,A1Locationinpatent:Page/Pagecolumn27-28

154928-90-2    116423-07-5 

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

116423-07-5    27326-88-1 

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

116423-07-5    154928-94-6 

[1]Ceccherelli,Paolo;Curini,Massimo;Marcotullio,MariaCarla;Rosati,Ornelio;Wenkert,Ernest[JournalofOrganicChemistry,1994,vol.59,#10,p.2882-2884]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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

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