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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethoxy)-1H-indole

  • CAS No. 262593-63-5

  • Cat. No. CS-W022264
  • Molecule weight201.15
  • Purity≥97%
  • MDL No.None

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

5-(Trifluoromethoxy)-1H-indole|CS-W022264

Structure of 262593-63-5

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General Information

  • CAS No. 262593-63-5
  • Cat. No. CS-W022264
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) 5-Trifluoromethoxy-1H-indole
  • SMILES FC(F)(F)OC1=CC2=C(NC=C2)C=C1

Description

5-(Trifluoromethoxy)-1H-indole integrates a strongly electron-withdrawing trifluoromethoxy group at the 5-position of the indole scaffold, enhancing both metabolic stability and lipophilicity. This substitution pattern enables selective incorporation into bioactive molecules for medicinal chemistry campaigns targeting kinase inhibitors and CNS modulators. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating efficient coupling reactions under standard conditions.

Application

5-(Trifluoromethoxy)-1H-indole serves as a valuable building block in medicinal chemistry, enabling direct functionalization at the C5 position of the indole core. Its trifluoromethoxy group imparts enhanced metabolic stability and modulates lipophilicity, facilitating its use in drug discovery campaigns. The compound exhibits good bench stability and compatibility with standard coupling reactions, making it well-suited for iterative synthesis of complex heterocyclic scaffolds.

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   25.02
  • LogP   3.0665
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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