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CS-W001157 4
Total: USD 88.00

Asparagusic acid

  • CAS No. 2224-02-4

  • Cat. No. CS-B0536
  • Purity≥97%
  • MDL No.MFCD01729684

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

Asparagusic acid|CS-B0536

Structure of 2224-02-4

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General Information

  • CAS No. 2224-02-4
  • Cat. No. CS-B0536
  • Purity ≥97%
  • MDL No. MFCD01729684
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆O₂S₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)C1CSSC1

Description

Asparagusic acid is a sulfur-rich metabolite derived from asparagus metabolism, characterized by its distinctive thiol-containing structure and potent odor profile. This compound contributes significantly to the characteristic smell of urine following asparagus consumption. Its reactive sulfhydryl group enables facile conjugation in biochemical studies, making it useful for probing sulfur-specific enzymatic pathways and metabolic tracking.

Application

Asparagusic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of biologically relevant heterocyclic scaffolds. Its unique dithiolane core exhibits robust functional group tolerance and facilitates selective transformations under mild conditions. The compound demonstrates excellent bench stability and ease of purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process 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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.0822
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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