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CS-W001157 4
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5-Methylindol-3-ylacetic acid

  • CAS No. 1912-47-6

  • Cat. No. CS-0130267
  • Purity≥97%
  • MDL No.None

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

5-Methylindol-3-ylacetic acid|CS-0130267

Structure of 1912-47-6

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General Information

  • CAS No. 1912-47-6
  • Cat. No. CS-0130267
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 5-Methylindole-3-Acetic Acid
  • SMILES O=C(CC1=CNC2=C1C=C(C=C2)C)O

Description

5-Methylindol-3-ylacetic acid features a methyl-substituted indole core linked to a carboxylic acid side chain, offering enhanced lipophilicity and metabolic stability. This structural motif enables direct incorporation into bioactive molecules for medicinal chemistry campaigns targeting CNS receptors and kinase pathways.

Application

5-Methylindol-3-ylacetic acid serves as a versatile building block for indole-based medicinal chemistry, enabling efficient access to biologically relevant scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions and derivatization, while the methyl-substituted indole core offers enhanced metabolic stability and favorable lipophilicity profiles. The compound exhibits excellent bench stability and is compatible with standard peptide coupling protocols, making it ideal for library synthesis and structure-activity studies.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 35, # 19 p. 3013 - 3016
  • Route2
    • 2-(5-Methyl-1H-indol-3-yl)-2-oxoacetic acid|CS-0447303
      156695-43-1
    • ~%
    • In-stock
      5-Methylindol-3-ylacetic acid|CS-0130267
      1912-47-6

    References

    • Tetrahedron Letters, , vol. 35, # 19 p. 3013 - 3016
  • Route3
    • null|null
      115956-14-4
    • ~%
    • In-stock
      5-Methylindol-3-ylacetic acid|CS-0130267
      1912-47-6

    References

    • Tetrahedron Letters, , vol. 35, # 19 p. 3013 - 3016

Safety Information

Download SDS
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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.10342
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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