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CS-W001157 4
Total: USD 88.00

5-Methyl-1H-indole-4-carboxylic acid

  • CAS No. 1360950-77-1

  • Cat. No. CS-0055938
  • Molecule weight175.18
  • Purity≥98%
  • MDL No.None

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

5-Methyl-1H-indole-4-carboxylic acid|CS-0055938

Structure of 1360950-77-1

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General Information

  • CAS No. 1360950-77-1
  • Cat. No. CS-0055938
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) None
  • SMILES O=C(C1=C(C)C=CC2=C1C=CN2)O

Description

5-Methyl-1H-indole-4-carboxylic acid features a sterically accessible indole core with a carboxylic acid group at the 4-position and a methyl substituent at the 5-position. This configuration imparts enhanced solubility in polar solvents while maintaining stability under standard bench conditions, enabling direct integration into synthetic routes for bioactive molecule development.

Application

5-Methyl-1H-indole-4-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling direct functionalization at the C4 position via standard carboxylic acid transformations. Its stability under ambient conditions and compatibility with amide coupling, esterification, and decarboxylation protocols make it well-suited for medicinal chemistry campaigns and API intermediate development. The methyl group at C5 provides a handle for further substitution or oxidation, enhancing structural diversity in indole-based libraries.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.17452
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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