![Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate structure](/static/products/814/814-81-3.png)
Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
TL;DR: Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate (CAS 814-81-3) is a chemical compound with molecular formula C9H16O4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-ethoxy-2-oxoethyl)sulfanylpropanoate
Also Known As: ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate, 3-Thiaadipic acid diethyl ester, OSM-S-156, Ethyl 3-((2-ethoxy-2-oxoethyl)thio)propanoate, ethyl 3-(2-ethoxy-2-oxoethyl)sulfanylpropanoate
| Molecular Formula | C9H16O4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.07693 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 814-81-3 |
|---|---|
| SMILES | CCOC(=O)CCSCC(=O)OCC |
| InChIKey | VKVGPGWOHFRXIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate (CAS 814-81-3), with molecular formula C9H16O4S and molecular weight 220.08 g/mol. IUPAC: ethyl 3-(2-ethoxy-2-oxoethyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
Property Insights of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate has 0 hydrogen bond donor(s) and 5 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 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The CAS number of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is 814-81-3.
What is the molecular formula of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The molecular formula of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is C9H16O4S.
What is the molecular weight of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The molecular weight of Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is 220.08 g/mol.
Where can I buy Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
You can request a quote for Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.