Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
TL;DR: Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (CAS 13669-10-8) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-thiophen-2-ylpropanoate
Also Known As: ethyl 3-oxo-3-(thiophen-2-yl)propanoate, Belarizine, ethyl (2-thenoyl)acetate, 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester, ethyl 3-oxo-3-(2-thienyl)propanoate
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 13669-10-8 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=CS1 |
| InChIKey | VKSDKUXHVLZDHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxo-3-(thiophen-2-yl)propanoate (CAS 13669-10-8), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: ethyl 3-oxo-3-thiophen-2-ylpropanoate.
Chemical Property Profile of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
Property Insights of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-(thiophen-2-yl)propanoate. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-3-(thiophen-2-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-(thiophen-2-yl)propanoate has 0 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 3-oxo-3-(thiophen-2-yl)propanoate?
The CAS number of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate is 13669-10-8.
What is the molecular formula of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate?
The molecular formula of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate is C9H10O3S.
What is the molecular weight of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate?
The molecular weight of Ethyl 3-oxo-3-(thiophen-2-yl)propanoate is 198.04 g/mol.
Where can I buy Ethyl 3-oxo-3-(thiophen-2-yl)propanoate?
You can request a quote for Ethyl 3-oxo-3-(thiophen-2-yl)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-oxo-3-(thiophen-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-(thiophen-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.