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CS-W001157 4
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4-Methoxyisoxazole-3-carboxylic acid

  • CAS No. 1505931-33-8

  • Cat. No. CS-0541556
  • Purity≥98%
  • MDL No.None

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

4-Methoxyisoxazole-3-carboxylic acid|CS-0541556

Structure of 1505931-33-8

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General Information

  • CAS No. 1505931-33-8
  • Cat. No. CS-0541556
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₄
  • Molecular Weight 143.10
  • Synonym(s) None
  • SMILES O=C(C1=NOC=C1OC)O

Description

4-Methoxyisoxazole-3-carboxylic acid is a bench-stable heterocyclic building block featuring a polar methoxy group and a carboxylic acid functionality. This combination enables direct conjugation in synthetic routes, enhancing solubility and reactivity in medicinal chemistry applications.

Application

4-Methoxyisoxazole-3-carboxylic acid serves as a versatile building block for bioactive heterocycles, enabling efficient access to isoxazole-based scaffolds prevalent in medicinal chemistry. Its carboxylic acid functionality facilitates direct derivatization via amide coupling or esterification, while the methoxy group provides moderate electronic modulation and enhanced solubility. The molecule exhibits good bench stability and compatibility with standard synthetic protocols, making it well-suited for iterative synthesis campaigns targeting functionalized isoxazoles in drug discovery pipelines.

Safety Information

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Computational Chemistry Data

  • TPSA   72.56
  • LogP   0.3814
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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