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CS-W001157 4
Total: USD 88.00

Leflunomide impurity 4

  • CAS No. 42831-50-5

  • Cat. No. CS-W011150
  • Purity≥96%
  • MDL No.MFCD00955655

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

Leflunomide impurity 4|CS-W011150

Structure of 42831-50-5

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General Information

  • CAS No. 42831-50-5
  • Cat. No. CS-W011150
  • Purity ≥96%
  • MDL No. MFCD00955655
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₃
  • Molecular Weight 127.10
  • Synonym(s) None
  • SMILES O=C(O)C=1C=NOC1C

Description

5-Methylisoxazole-4-carboxylic acid features a fused heterocyclic core with complementary electron-withdrawing and donor substituents, enabling robust integration into bioactive scaffolds. The carboxylic acid group facilitates direct coupling in peptide and macrocyclic synthesis, while the methylated isoxazole ring enhances metabolic stability and lipophilic character. This compound serves as a key building block for pharmaceutical intermediates requiring precise electronic tuning and solubility balance.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   0.68122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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