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CS-W001157 4
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3-(Methylsulfonyl)propanoic acid

  • CAS No. 645-83-0

  • Cat. No. CS-0038744
  • Purity≥97%
  • MDL No.MFCD01697360

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

3-(Methylsulfonyl)propanoic acid|CS-0038744

Structure of 645-83-0

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General Information

  • CAS No. 645-83-0
  • Cat. No. CS-0038744
  • Purity ≥97%
  • MDL No. MFCD01697360
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈O₄S
  • Molecular Weight 152.17
  • Synonym(s) Methylsulfonyl propionic acid
  • SMILES CS(=O)(=O)CCC(=O)O

Description

This sulfonate-containing carboxylic acid features a methylsulfonyl group that enhances solubility and metabolic stability. The rigid, electron-withdrawing moiety integrates readily into bioactive scaffolds, offering improved polarity and reduced lipophilicity in drug discovery applications.

Application

3-(Methylsulfonyl)propanoic acid serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable sulfone group adjacent to a carboxylic acid. Its well-defined reactivity facilitates amide bond formation and conjugation strategies, while the methylsulfonyl moiety enhances solubility and provides orthogonal functionalization potential. The compound exhibits excellent bench stability and is compatible with standard purification methods, making it suitable for use in high-throughput synthesis and API intermediate development.

Safety Information

Download SDS
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   71.44
  • LogP   -0.4943
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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