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CS-W001157 4
Total: USD 88.00

2-(Methylsulfonamido)benzoic acid

  • CAS No. 162787-61-3

  • Cat. No. CS-0150122
  • Purity≥97%
  • MDL No.MFCD00590092

*For research and further manufacturing use only, not for direct human use.

2-(Methylsulfonamido)benzoic acid|CS-0150122

Structure of 162787-61-3

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General Information

  • CAS No. 162787-61-3
  • Cat. No. CS-0150122
  • Purity ≥97%
  • MDL No. MFCD00590092
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.23
  • Synonym(s) 2-METHANESULFONYLAMINO-BENZOIC ACID
  • SMILES CS(=O)(=O)NC1=CC=CC=C1C(=O)O

Synthesis

  • Route1
    • null|null
      118-92-3
    • null|null
      124-63-0
    • ~90%
    • In-stock
      2-(Methylsulfonamido)benzoic acid|CS-0150122
      162787-61-3

    References

    • FUJIFILM CORPORATION Patent: US2012/53343 A1, 2012 ; Location in patent: Page/Page column 11 ;
  • Route2
    • null|null
      91013-48-8
    • ~84%
    • In-stock
      2-(Methylsulfonamido)benzoic acid|CS-0150122
      162787-61-3

    References

    • GALAPAGOS N.V. Patent: WO2008/55959 A1, 2008 ; Location in patent: Page/Page column 103 ; WO 2008/055959 A1
  • Route3
    • Methyl 2-(methylsulfonamido)benzoate|CS-0455183
      716-41-6
    • ~%
    • In-stock
      2-(Methylsulfonamido)benzoic acid|CS-0150122
      162787-61-3

    References

    • Journal of Medicinal Chemistry, , vol. 52, # 10 p. 3317 - 3327

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.47
  • LogP   0.7563
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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