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CS-W001157 4
Total: USD 88.00

2-(1H-Indol-4-yl)acetic acid

  • CAS No. 16176-74-2

  • Cat. No. CS-W006598
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD09837549

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

2-(1H-Indol-4-yl)acetic acid|CS-W006598

Structure of 16176-74-2

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General Information

  • CAS No. 16176-74-2
  • Cat. No. CS-W006598
  • Purity ≥96%
  • MDL No. MFCD09837549
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight None
  • Synonym(s) 1H-Indole-4-acetic acid
  • SMILES OC(=O)CC1=C2C=CNC2=CC=C1

Description

2-(1H-Indol-4-yl)acetic acid features a planar indole core with a pendant carboxylic acid group, enabling direct conjugation in bioactive molecule synthesis. This configuration supports hydrogen bonding and π-stacking interactions, enhancing binding affinity in receptor-targeted applications. The molecule exhibits robust stability under standard bench conditions and integrates readily into peptide and small-molecule frameworks.

Application

2-(1H-Indol-4-yl)acetic acid serves as a versatile building block for the synthesis of indole-containing bioactive molecules, enabling efficient conjugation via amide and ester linkages. Its bench-stable nature and compatibility with standard peptide coupling protocols facilitate straightforward derivatization. Functions as a key intermediate in the construction of heterocyclic scaffolds and prodrugs relevant to medicinal chemistry 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   53.09
  • LogP   1.795
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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