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CS-W001157 4
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4,6,7-Trifluoro-1H-indole-2-carboxylic acid

  • CAS No. 1699249-56-3

  • Cat. No. CS-0506352
  • Purity≥98%
  • MDL No.MFCD31696489

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

4,6,7-Trifluoro-1H-indole-2-carboxylic acid|CS-0506352

Structure of 1699249-56-3

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General Information

  • CAS No. 1699249-56-3
  • Cat. No. CS-0506352
  • Purity ≥98%
  • MDL No. MFCD31696489
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄F₃NO₂
  • Molecular Weight 215.13
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C(F)=C(F)C=C2F)O

Description

4,6,7-Trifluoro-1H-indole-2-carboxylic acid features a trifluorinated indole core with a carboxylic acid group at the 2-position, offering enhanced electron deficiency and metabolic stability. This configuration enables direct incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds. The fluorinated framework improves membrane permeability and resistance to oxidative degradation, facilitating efficient synthesis and downstream derivatization under standard conditions.

Application

4,6,7-Trifluoro-1H-indole-2-carboxylic acid serves as a versatile building block for the synthesis of fluorinated heterocycles and bioactive scaffolds. Its trifluoromethylated indole core enables enhanced metabolic stability and modulated lipophilicity in medicinal chemistry applications. The carboxylic acid functionality facilitates direct coupling reactions and derivatization under standard amide bond formation conditions, offering efficient access to peptide-like conjugates and macrocyclic architectures. The molecule exhibits good bench stability and is compatible with common purification methods.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.2834
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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