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Methyl 4-acetamido-5-chloro-2-ethoxybenzoate

  • CAS No. 4235-43-2

  • Cat. No. CS-0361856
  • Purity≥98%
  • MDL No.MFCD06658144

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

Methyl 4-acetamido-5-chloro-2-ethoxybenzoate|CS-0361856

Structure of 4235-43-2

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General Information

  • CAS No. 4235-43-2
  • Cat. No. CS-0361856
  • Purity ≥98%
  • MDL No. MFCD06658144
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄ClNO₄
  • Molecular Weight 271.70
  • Synonym(s) methyl 4-acetylamino-5-chloro-2-ethoxy-benzoate
  • SMILES CCOC1=CC(NC(C)=O)=C(Cl)C=C1C(OC)=O

Synthesis

  • Route1

    References

    • Journal of Medicinal Chemistry, , vol. 34, # 2 p. 616 - 624
  • Route2

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 46, # 1 p. 42 - 52
  • Route3
    • 4-Aminosalicylic acid Mesalazine  Impurity|CS-0229166
      65-49-6
    • ~%
    • In-stock
      Methyl 4-acetamido-5-chloro-2-ethoxybenzoate|CS-0361856
      4235-43-2

    References

    • Letters in Drug Design and Discovery, , vol. 9, # 5 p. 489 - 493

Safety Information

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   2.4837
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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