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CS-W001157 4
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4,7-Difluoro-1h-indole-2-carboxylic acid

  • CAS No. 247564-67-6

  • Cat. No. CS-0261811
  • Molecule weight197.14
  • Purity≥98%
  • MDL No.None

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

4,7-Difluoro-1h-indole-2-carboxylic acid|CS-0261811

Structure of 247564-67-6

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General Information

  • CAS No. 247564-67-6
  • Cat. No. CS-0261811
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₂NO₂
  • Molecular Weight 197.14
  • Synonym(s) None
  • SMILES O=C(C(N1)=CC2=C1C(F)=CC=C2F)O

Description

4,7-Difluoro-1H-indole-2-carboxylic acid features a fluorinated indole core with electron-withdrawing difluoro substitution at the 4 and 7 positions, enhancing metabolic stability and modulating electronic properties. The carboxylic acid group enables direct conjugation or derivatization in medicinal chemistry campaigns. This scaffold integrates readily into bioactive molecules for kinase inhibition and CNS-targeted drug discovery.

Application

4,7-Difluoro-1H-indole-2-carboxylic acid serves as a valuable building block for the synthesis of fluorinated indole derivatives, enabling direct incorporation of two strategically positioned fluorine atoms to modulate electronic properties and metabolic stability. Its carboxylic acid functionality facilitates straightforward coupling reactions, including amide formation and esterification, while maintaining compatibility with common protecting group strategies. The compound exhibits good bench stability and is well-suited for use in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors.

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-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.1443
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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