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1261920-72-2,MFCD18319159
Catalog No.:AA00HLH9

1261920-72-2 | 3-(4-Cyanophenyl)-5-methoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$344.00   $241.00
- +
5g
95%
in stock  
$1,341.00   $939.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HLH9
Chemical Name:
3-(4-Cyanophenyl)-5-methoxybenzoic acid
CAS Number:
1261920-72-2
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD18319159
SMILES:
COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
365  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/83145,2012,A1Locationinpatent:Page/Pagecolumn44

1261920-72-2    1381952-76-6   
2-(4'-cyano-5-(methyloxy)-3-biphenylcarbonyl}amino)-2,6-dideoxy-6-(2,3-dichlorophenyl)sulfonylamino}-D-glucopyranose 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2012/83145,2012,A1Locationinpatent:Page/Pagecolumn56

1261920-72-2   
C15H20Cl2N2O6S 
 
C30H29Cl2N3O8S 

[1]Lin,Hong;Zeng,Jin;Xie,Ren;Schulz,MarkJ.;Tedesco,Rosanna;Qu,Junya;Erhard,KarlF.;MacK,JamesF.;Raha,Kaushik;Rendina,AlanR.;Szewczuk,LawrenceM.;Kratz,PatriciaM.;Jurewicz,AnthonyJ.;Cecconie,Ted;Martens,Stan;McDevitt,PatrickJ.;Martin,JohnD.;Chen,StephenieB.;Jiang,Yong;Nickels,Leng;Schwartz,BenjaminJ.;Smallwood,Angela;Zhao,Baoguang;Campobasso,Nino;Qian,Yanqiu;Briand,Jacques;Rominger,CynthiaM.;Oleykowski,Catherine;Hardwicke,MaryAnn;Luengo,JuanI.[ACSMedicinalChemistryLetters,2016,vol.7,#3,p.217-222]

1261920-72-2   
C15H20Cl2N2O6S 
 
2-(4'-cyano-5-(methyloxy)-3-biphenylcarbonyl}amino)-2,6-dideoxy-6-(2,3-dichlorophenyl)sulfonylamino}-D-glucopyranose 

[1]Lin,Hong;Zeng,Jin;Xie,Ren;Schulz,MarkJ.;Tedesco,Rosanna;Qu,Junya;Erhard,KarlF.;MacK,JamesF.;Raha,Kaushik;Rendina,AlanR.;Szewczuk,LawrenceM.;Kratz,PatriciaM.;Jurewicz,AnthonyJ.;Cecconie,Ted;Martens,Stan;McDevitt,PatrickJ.;Martin,JohnD.;Chen,StephenieB.;Jiang,Yong;Nickels,Leng;Schwartz,BenjaminJ.;Smallwood,Angela;Zhao,Baoguang;Campobasso,Nino;Qian,Yanqiu;Briand,Jacques;Rominger,CynthiaM.;Oleykowski,Catherine;Hardwicke,MaryAnn;Luengo,JuanI.[ACSMedicinalChemistryLetters,2016,vol.7,#3,p.217-222]

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Tags:1261920-72-2 Molecular Formula|1261920-72-2 MDL|1261920-72-2 SMILES|1261920-72-2 3-(4-Cyanophenyl)-5-methoxybenzoic acid