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CS-W001157 4
Total: USD 88.00

1-Benzyl-1H-indole-3-carboxylic acid

  • CAS No. 27018-76-4

  • Cat. No. CS-W014620
  • Purity≥98%
  • MDL No.MFCD00057094

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

1-Benzyl-1H-indole-3-carboxylic acid|CS-W014620

Structure of 27018-76-4

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General Information

  • CAS No. 27018-76-4
  • Cat. No. CS-W014620
  • Purity ≥98%
  • MDL No. MFCD00057094
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃NO₂
  • Molecular Weight 251.29
  • Synonym(s) 1-Benzylindole-3-carboxylic acid
  • SMILES O=C(C1=CN(CC2=CC=CC=C2)C3=C1C=CC=C3)O

Synthesis

  • Route1
    • null|null
      155134-26-2
    • ~99%
    • 1-Benzyl-1H-indole-3-carboxylic acid|CS-W014620
      27018-76-4

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1346982 A1, 2003 ;
  • Route2
    • null|null
      100-39-0
    • ~79%
    • 1-Benzyl-1H-indole-3-carboxylic acid|CS-W014620
      27018-76-4

    References

    • Bissantz, Caterina; Grundschober, Christophe; Ratni, Hasane; Rogers-Evans, Mark; Schnider, Patrick Patent: US2007/27173 A1, 2007 ; Location in patent: Page/Page column 35 ; US 20070027173 A1
  • Route3

    References

    • Bissantz, Caterina; Grundschober, Christophe; Ratni, Hasane; Rogers-Evans, Mark; Schnider, Patrick Patent: US2007/21463 A1, 2007 ; Location in patent: Page/Page column 17 ; US 20070021463 A1

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.23
  • LogP   3.3878
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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