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Home Other Building Blocks 23754-45-2
23754-45-2,MFCD10688269
Catalog No.:AA00CCB2

23754-45-2 | 4-(Methylcarbamoyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$85.00   $60.00
- +
1g
96%
in stock  
$138.00   $97.00
- +
5g
96%
in stock  
$603.00   $423.00
- +
10g
96%
in stock  
$1,142.00   $799.00
- +
25g
96%
in stock  
$2,472.00   $1,731.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CCB2
Chemical Name:
4-(Methylcarbamoyl)benzoic acid
CAS Number:
23754-45-2
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD10688269
SMILES:
CNC(=O)c1ccc(cc1)C(=O)O
Properties
Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Patent:WO2007/67836,2007,A2.Locationinpatent:Page/Pagecolumn142-143

[2]Patent:WO2010/5783,2010,A1.Locationinpatent:Page/Pagecolumn128-129

[3]TetrahedronLetters,2007,vol.48,p.7986-7989

[4]AngewandteChemie-InternationalEdition,2017,vol.56,p.2482-2486    Angew.Chem.,2017,vol.129,p.2522-2526,5

[5]JournalofMedicinalChemistry,2019,vol.62,p.7185-7209

[1]TetrahedronLetters,2007,vol.48,p.7986-7989

[2]Patent:WO2007/67836,2007,A2.Locationinpatent:Page/Pagecolumn143

8-2,6-dichloro-3-(piperazine-1-carbonyl)benzyloxy-2-methylquinolinedihydrochloride 
  23754-45-2   
8-2,6-Dichloro-3-4-4-(methylcarbamoyl)benzoylpiperazine-1-carbonylbenzyloxy-2-methylquinoline 

[1]Patent:US6008229,1999,A

[2]Patent:US6344462,2002,B1.Locationinpatent:Pagecolumn61

189269-50-9    23754-45-2   
8-2,6-dichloro-3-N-methyl-N-2-4-(methylcabamoyl)benzamidoethylcarbamoylbenzyloxy-2-methylquinoline 

[1]Patent:US6008229,1999,A

[2]Patent:US6344462,2002,B1.Locationinpatent:Pagecolumn63

[1]Patent:US5602277,1997,A

Literature

Title: Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

Journal: Journal of medicinal chemistry 19971205

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SDS
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Tags:23754-45-2 Molecular Formula|23754-45-2 MDL|23754-45-2 SMILES|23754-45-2 4-(Methylcarbamoyl)benzoic acid