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CS-W001157 4
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3-(2-Carboxyethyl)-1H-indole-2-carboxylic acid

  • CAS No. 31529-28-9

  • Cat. No. CS-0323618
  • Purity≥97%
  • MDL No.None

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

3-(2-Carboxyethyl)-1H-indole-2-carboxylic acid|CS-0323618

Structure of 31529-28-9

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General Information

  • CAS No. 31529-28-9
  • Cat. No. CS-0323618
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₄
  • Molecular Weight 233.22
  • Synonym(s) 4,6,6-TRIMETHYL-6H-[1,3]THIAZIN-2-YLAMINE
  • SMILES C1=CC=C2C(=C1)C(=C(C(=O)O)N2)CCC(=O)O

Synthesis

  • Route1
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    • ~%
    • 3-(2-Carboxyethyl)-1H-indole-2-carboxylic acid|CS-0323618
      31529-28-9

    References

    • Salituro, Francesco G.; Harrison, Boyd L.; Baron, Bruce M.; Nyce, Philip L.; Stewart, Kenneth T.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 10 p. 1791 - 1799
  • Route2

    References

    • Salituro, Francesco G.; Harrison, Boyd L.; Baron, Bruce M.; Nyce, Philip L.; Stewart, Kenneth T.; McDonald, Ian A. Journal of Medicinal Chemistry, 1990 , vol. 33, # 11 p. 2944 - 2946
  • Route3

    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

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   90.39
  • LogP   1.8833
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   4

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