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CS-W001157 4
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5-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid

  • CAS No. 869782-94-5

  • Cat. No. CS-0045069
  • Molecule weight246.14
  • Purity≥95%
  • MDL No.MFCD06739135

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

5-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid|CS-0045069

Structure of 869782-94-5

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General Information

  • CAS No. 869782-94-5
  • Cat. No. CS-0045069
  • Purity ≥95%
  • MDL No. MFCD06739135
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃N₂O₃
  • Molecular Weight 246.14
  • Synonym(s) 5-Trifluoromethoxyl-3-indazolecarboxylic acid
  • SMILES O=C(C1=NNC2=C1C=C(OC(F)(F)F)C=C2)O

Description

This trifluoromethoxy-substituted indazole carboxylic acid features a polar, electron-deficient heterocyclic core that enhances solubility and metabolic stability. The para-trifluoromethoxy group imparts strong lipophilicity and resistance to oxidative degradation, while the carboxylic acid enables direct conjugation or salt formation. Designed for use in medicinal chemistry, it serves as a key scaffold in kinase inhibitor development and bioactive molecule engineering.

Application

5-(Trifluoromethoxy)-1H-indazole-3-carboxylic acid serves as a versatile building block for medicinal chemistry campaigns, enabling the synthesis of bioactive heterocycles through standard amide coupling and Suzuki-Miyaura cross-coupling reactions. Its trifluoromethoxy group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct derivatization. The compound exhibits excellent bench stability and compatibility with common purification methods, supporting scalable synthesis in drug discovery workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   75.21
  • LogP   2.1597
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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