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52395-92-3,MFCD03308601
Catalog No.:AA00E2A2

52395-92-3 | 2-Methyl-1,3-benzoxazole-7-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$178.00   $125.00
- +
250mg
96%
in stock  
$378.00   $264.00
- +
1g
96%
in stock  
$976.00   $683.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00E2A2
Chemical Name:
2-Methyl-1,3-benzoxazole-7-carboxylic acid
CAS Number:
52395-92-3
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD03308601
SMILES:
Cc1nc2c(o1)c(ccc2)C(=O)O
Properties
Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2008/81399,2008,A2Locationinpatent:Page/Pagecolumn78

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2009/16560,2009,A2Locationinpatent:Page/Pagecolumn83

[3]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2007/60589,2007,A1Locationinpatent:Page/Pagecolumn88

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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Additional Info:
SDS
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Tags:52395-92-3 Molecular Formula|52395-92-3 MDL|52395-92-3 SMILES|52395-92-3 2-Methyl-1,3-benzoxazole-7-carboxylic acid