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CS-W001157 4
Total: USD 88.00

2-(5-Chloro-1H-indol-3-yl)acetic acid

  • CAS No. 1912-45-4

  • Cat. No. CS-0140470
  • Purity≥97%
  • MDL No.MFCD00130159

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

2-(5-Chloro-1H-indol-3-yl)acetic acid|CS-0140470

Structure of 1912-45-4

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General Information

  • CAS No. 1912-45-4
  • Cat. No. CS-0140470
  • Purity ≥97%
  • MDL No. MFCD00130159
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO₂
  • Molecular Weight 209.63
  • Synonym(s) 5-Chloroindole-3-acetic acid
  • SMILES O=C(O)CC1=CNC2=C1C=C(Cl)C=C2

Description

2-(5-Chloro-1H-indol-3-yl)acetic acid features a chlorinated indole core linked to a carboxylic acid side chain, enabling direct incorporation into bioactive conjugates. The electron-deficient indole moiety enhances reactivity in coupling reactions, while the pendant acid group offers ready derivatization for peptide and small-molecule synthesis. This scaffold supports modular construction of targeted therapeutics and probes.

Application

2-(5-Chloro-1H-indol-3-yl)acetic acid serves as a versatile building block for indole-based pharmaceutical intermediates, enabling efficient incorporation of the 5-chloroindole motif into bioactive scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization, while the chloro-substituted indole core provides enhanced metabolic stability and targeted receptor binding potential in medicinal chemistry applications. The compound exhibits good bench stability and is readily purified by standard chromatographic methods.

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-H335
Precautionary Statements : P233-P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.4484
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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