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CS-W001157 4
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3-(Carboxymethyl)-1h-indole-2-carboxylic acid

  • CAS No. 31529-27-8

  • Cat. No. CS-0238395
  • Molecule weight219.19
  • Purity≥97%
  • MDL No.None

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

3-(Carboxymethyl)-1h-indole-2-carboxylic acid|CS-0238395

Structure of 31529-27-8

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General Information

  • CAS No. 31529-27-8
  • Cat. No. CS-0238395
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₄
  • Molecular Weight 219.19
  • Synonym(s) 3-carboxymethylindole-2-carboxylic acid
  • SMILES C1=CC=C2C(=C1)C(=C(C(=O)O)N2)CC(=O)O

Synthesis

  • Route1
    • ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate|CS-0061615
      63158-60-1
    • ~80%
    • 3-(Carboxymethyl)-1h-indole-2-carboxylic acid|CS-0238395
      31529-27-8

    References

    • Gray, Nancy M.; Dappen, Michael S.; Cheng, Brian K.; Cordi, Alexis A.; Biesterfeldt, John P.; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 4 p. 1283 - 1292
  • Route2

    References

    • Shou, Xiaohong; Miledi, Ricardo; Chamberlin, A. Richard Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 17 p. 3942 - 3947
  • Route3
    • Diethyl 2-acetylglutarate|CS-0074515
      1501-06-0
    • ~%
    • 3-(Carboxymethyl)-1h-indole-2-carboxylic acid|CS-0238395
      31529-27-8

    References

    • Gray, Nancy M.; Dappen, Michael S.; Cheng, Brian K.; Cordi, Alexis A.; Biesterfeldt, John P.; et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 4 p. 1283 - 1292

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

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Computational Chemistry Data

  • TPSA   90.39
  • LogP   1.4932
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   3

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