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CS-W001157 4
Total: USD 88.00

4-(3,5-Dimethylisoxazol-4-yl)benzoic acid

  • CAS No. 212515-76-9

  • Cat. No. CS-0328329
  • Molecule weight217.22
  • Purity≥98%
  • MDL No.None

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

4-(3,5-Dimethylisoxazol-4-yl)benzoic acid|CS-0328329

Structure of 212515-76-9

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General Information

  • CAS No. 212515-76-9
  • Cat. No. CS-0328329
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₃
  • Molecular Weight 217.22
  • Synonym(s) None
  • SMILES CC1=NOC(=C1C2=CC=C(C=C2)C(=O)O)C

Description

4-(3,5-Dimethylisoxazol-4-yl)benzoic acid features a rigid, electron-deficient isoxazole ring linked to a para-substituted benzoic acid scaffold. This structural motif enables direct integration into bioactive scaffolds, offering enhanced metabolic stability and favorable solubility profiles under standard conditions.

Application

4-(3,5-Dimethylisoxazol-4-yl)benzoic acid serves as a versatile building block for medicinal chemistry and materials science, enabling the construction of bioactive heterocyclic scaffolds. The isoxazole ring imparts metabolic stability and favorable pharmacokinetic properties, while the carboxylic acid functionality facilitates direct coupling reactions or derivatization. Its bench-stable crystalline form enables straightforward handling and purification, supporting efficient integration into standard synthetic workflows.

Safety Information

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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   63.33
  • LogP   2.65664
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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