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CS-W001157 4
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1-(Phenylsulfonyl)-1H-indole-2-carboxylic acid

  • CAS No. 40899-93-2

  • Cat. No. CS-0556277
  • Purity≥98%
  • MDL No.None

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

1-(Phenylsulfonyl)-1H-indole-2-carboxylic acid|CS-0556277

Structure of 40899-93-2

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General Information

  • CAS No. 40899-93-2
  • Cat. No. CS-0556277
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NO₄S
  • Molecular Weight 301.32
  • Synonym(s) 1-PHENYLSULPHONYLINDOLE-2-CARBOXYLIC ACID
  • SMILES C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)O

Synthesis

  • Route1

    References

    • Mahboobi, Siavosh; Uecker, Andrea; Sellmer, Andreas; Cenac, Christophe; Hoecher, Heymo; Pongratz, Herwig; Eichhorn, Emerich; Hufsky, Harald; Truempler, Antje; Sicker, Marit; Heidel, Florian; Fischer, Thomas; Stocking, Carol; Elz, Sigurd; Boehmer, Frank-D.; Dove, Stefan Journal of Medicinal Chemistry, 2006 , vol. 49, # 11 p. 3101 - 3115
  • Route2
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    • 1-(Phenylsulfonyl)-1H-indole-2-carboxylic acid|CS-0556277
      40899-93-2

    References

    • Basset, Joan; Romero, Manel; Serra, Thais; Pujol, M. Dolors Tetrahedron, 2012 , vol. 68, # 1 p. 356 - 362
  • Route3
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      40899-92-1
    • ~%
    • 1-(Phenylsulfonyl)-1H-indole-2-carboxylic acid|CS-0556277
      40899-93-2

    References

    • Silvestri, Romano; De Martino, Gabriella; La Regina, Giuseppe; Artico, Marino; Massa, Silvio; Vargiu, Laura; Mura, Massimo; Loi, Anna Giulia; Marceddu, Tiziana; La Colla, Paolo Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2482 - 2493

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   76.37
  • LogP   2.5765
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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