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CS-W001157 4
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7-Ethyl-1H-indole-3-carboxylic acid

  • CAS No. 948581-62-2

  • Cat. No. CS-0462434
  • Molecule weight189.21
  • Purity≥98%
  • MDL No.MFCD11131235

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

7-Ethyl-1H-indole-3-carboxylic acid|CS-0462434

Structure of 948581-62-2

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General Information

  • CAS No. 948581-62-2
  • Cat. No. CS-0462434
  • Purity ≥98%
  • MDL No. MFCD11131235
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂
  • Molecular Weight 189.21
  • Synonym(s) 1H-Indole-3-carboxylic acid, 7-ethyl-
  • SMILES CCC1=C2C(=CC=C1)C(=CN2)C(=O)O

Synthesis

  • Route1

    References

    • EP1990335 A1, ; Page/Page column 20 ; EP 1990335 A1
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 8 p. 2541 - 2546
  • Route3
    • 1-(7-Ethyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one|CS-1214000
      799265-09-1
    • ~%
    • 7-Ethyl-1H-indole-3-carboxylic acid|CS-0462434
      948581-62-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 8 p. 2541 - 2546

Safety Information

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.4285
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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