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99459-47-9,MFCD03368381
Catalog No.:AA005S8I

99459-47-9 | 6-Methyl-1h-benzimidazole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$58.00   $41.00
- +
1g
95%
in stock  
$150.00   $105.00
- +
5g
95%
in stock  
$570.00   $399.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005S8I
Chemical Name:
6-Methyl-1h-benzimidazole-2-carboxylic acid
CAS Number:
99459-47-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD03368381
SMILES:
Cc1ccc2c(c1)nc([nH]2)C(=O)O
Properties
Properties
 
BP:
444.5°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Downstream Synthesis Route
102877-78-1    99459-47-9   
N-4-(pyridine-4-yloxy)phenyl-5-methyl-1H-benzimidazole-2-carboxamide 

[1]Patent:WO2005/4863,2005,A1.Locationinpatent:Page/Pagecolumn140

80650-45-9    99459-47-9   
N-4-(pyridine-3-yloxy)phenyl-5-methyl-1H-benzimidazole-2-carboxamide 

[1]Patent:WO2005/4863,2005,A1.Locationinpatent:Page/Pagecolumn145

27692-74-6    99459-47-9   
N-4-(pyridine-4-ylmethyl)phenyl-5-methyl-1H-benzimidazole-2-carboxylicacidamide 

[1]Patent:WO2005/4863,2005,A1.Locationinpatent:Page/Pagecolumn159-160

[1]Molecules,2015,vol.20,p.15206-15223

Literature

Title: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100115

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SDS
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