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Home Amines 716358-46-2
716358-46-2,MFCD05270857
Catalog No.:AA00FGUW

716358-46-2 | 3-[(Isopropylamino)sulfonyl]benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$145.00   $102.00
- +
5g
98%
in stock  
$411.00   $288.00
- +
10g
98%
in stock  
$710.00   $497.00
- +
25g
98%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FGUW
Chemical Name:
3-[(Isopropylamino)sulfonyl]benzoic acid
CAS Number:
716358-46-2
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD05270857
SMILES:
CC(NS(=O)(=O)c1cccc(c1)C(=O)O)C
Properties
Computed Properties
 
Complexity:
344  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Patent:WO2014/33170,2014,A1.Locationinpatent:Page/Pagecolumn62;63

[2]Patent:WO2014/33176,2014,A1.Locationinpatent:Page/Pagecolumn62-63

[1]Patent:WO2014/33170,2014,A1.Locationinpatent:Page/Pagecolumn99

[1]JournalofMedicinalChemistry,2018,vol.61,p.6247-6260

[2]Patent:WO2014/33170,2014,A1.Locationinpatent:Page/Pagecolumn54;55

[3]Patent:WO2014/33176,2014,A1.Locationinpatent:Page/Pagecolumn54-55

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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SDS
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Tags:716358-46-2 Molecular Formula|716358-46-2 MDL|716358-46-2 SMILES|716358-46-2 3-[(Isopropylamino)sulfonyl]benzoic acid