Ethyl mercaptopyruvate
TL;DR: Ethyl mercaptopyruvate (CAS 85089-26-5) is a chemical compound with molecular formula C5H8O3S and molecular weight 148.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-3-sulfanylpropanoate
Also Known As: ethyl mercaptopyruvate, Ethyl 3-mercaptopyruvate, Ethyl 2-oxo-3-sulfanylpropanoate, Ethyl 3-mercapto-2-oxopropanoate, Ethyl 2-oxo-3-sulfanylpropanoate #
| Molecular Formula | C5H8O3S |
|---|---|
| Molecular Weight | 148.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.01941 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 85089-26-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)CS |
| InChIKey | GDDJLKLSPDBRJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl mercaptopyruvate (CAS 85089-26-5), with molecular formula C5H8O3S and molecular weight 148.02 g/mol. IUPAC: ethyl 2-oxo-3-sulfanylpropanoate.
Chemical Property Profile of Ethyl mercaptopyruvate
Property Insights of Ethyl mercaptopyruvate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl mercaptopyruvate. With a topological polar surface area (TPSA) of 44.4 Ų, Ethyl mercaptopyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl mercaptopyruvate has 1 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 Ethyl mercaptopyruvate?
The CAS number of Ethyl mercaptopyruvate is 85089-26-5.
What is the molecular formula of Ethyl mercaptopyruvate?
The molecular formula of Ethyl mercaptopyruvate is C5H8O3S.
What is the molecular weight of Ethyl mercaptopyruvate?
The molecular weight of Ethyl mercaptopyruvate is 148.02 g/mol.
Where can I buy Ethyl mercaptopyruvate?
You can request a quote for Ethyl mercaptopyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl mercaptopyruvate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl mercaptopyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.