Dihydroasparagusic acid
TL;DR: Dihydroasparagusic acid (CAS 7634-96-0) is a chemical compound with molecular formula C4H8O2S2 and molecular weight 152.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanyl-2-(sulfanylmethyl)propanoic acid
Also Known As: Dihydroasparagusic acid, 3-mercapto-2-(mercaptomethyl)propanoic acid, 3-Sulfanyl-2-(sulfanylmethyl)propanoic acid, 1,3-dimercapto-2-carboxypropane, Bis(mercaptomethyl)acetic acid
| Molecular Formula | C4H8O2S2 |
|---|---|
| Molecular Weight | 152.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.99657 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 7634-96-0 |
|---|---|
| SMILES | C(C(CS)C(=O)O)S |
| InChIKey | KRHAHEQEKNJCSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroasparagusic acid (CAS 7634-96-0), with molecular formula C4H8O2S2 and molecular weight 152.00 g/mol. IUPAC: 3-sulfanyl-2-(sulfanylmethyl)propanoic acid.
Chemical Property Profile of Dihydroasparagusic acid
Property Insights of Dihydroasparagusic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydroasparagusic acid. With a topological polar surface area (TPSA) of 39.3 Ų, Dihydroasparagusic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroasparagusic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dihydroasparagusic acid?
The CAS number of Dihydroasparagusic acid is 7634-96-0.
What is the molecular formula of Dihydroasparagusic acid?
The molecular formula of Dihydroasparagusic acid is C4H8O2S2.
What is the molecular weight of Dihydroasparagusic acid?
The molecular weight of Dihydroasparagusic acid is 152.00 g/mol.
Where can I buy Dihydroasparagusic acid?
You can request a quote for Dihydroasparagusic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroasparagusic acid?
Yes, KEHONG BIO provides custom synthesis services for Dihydroasparagusic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.