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CS-W001157 4
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1-Propyl-1h-indole-3-carboxylic acid

  • CAS No. 141102-07-0

  • Cat. No. CS-0251369
  • Molecule weight203.24
  • Purity≥97%
  • MDL No.None

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

1-Propyl-1h-indole-3-carboxylic acid|CS-0251369

Structure of 141102-07-0

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General Information

  • CAS No. 141102-07-0
  • Cat. No. CS-0251369
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) 1H-Indole-3-carboxylic acid,1-propyl
  • SMILES O=C(C1=CN(CCC)C2=C1C=CC=C2)O

Synthesis

  • Route1
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      858515-83-0
    • ~%
    • 1-Propyl-1h-indole-3-carboxylic acid|CS-0251369
      141102-07-0

    References

    • AstraZeneca AB Patent: US6346625 B1, 2002 ; Location in patent: Page column 19 ; US 6346625 B1
  • Route2

    References

    • Hopkins, Corey R.; Czekaj, Mark; Kaye, Steven S.; Gao, Zhongli; Pribish, James; Pauls, Henry; Liang, Guyan; Sides, Keith; Cramer, Dona; Cairns, Jennifer; Luo, Yongyi; Lim, Heng-Keang; Vaz, Roy; Rebello, Sam; Maignan, Sebastian; Dupuy, Alain; Mathieu, Magali; Levell, Julian Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 11 p. 2734 - 2737

Safety Information

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

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Computational Chemistry Data

  • TPSA   42.23
  • LogP   2.7495
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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