Ethyl 2-thiopheneglyoxylate
TL;DR: Ethyl 2-thiopheneglyoxylate (CAS 4075-58-5) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-thiophen-2-ylacetate
Also Known As: Ethyl thiophene-2-glyoxylate, ethyl 2-oxo-2-(thiophen-2-yl)acetate, ethyl 2-thienylglyoxylate, ethyl thienylglyoxylate, Ethyl alpha-oxothiophen-2-acetate
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 4075-58-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=CS1 |
| InChIKey | GHOVLEQTRNXASK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-thiopheneglyoxylate (CAS 4075-58-5), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: ethyl 2-oxo-2-thiophen-2-ylacetate.
Chemical Property Profile of Ethyl 2-thiopheneglyoxylate
Property Insights of Ethyl 2-thiopheneglyoxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-thiopheneglyoxylate. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-thiopheneglyoxylate. Following Lipinski's Rule of Five, Ethyl 2-thiopheneglyoxylate 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 2-thiopheneglyoxylate?
The CAS number of Ethyl 2-thiopheneglyoxylate is 4075-58-5.
What is the molecular formula of Ethyl 2-thiopheneglyoxylate?
The molecular formula of Ethyl 2-thiopheneglyoxylate is C8H8O3S.
What is the molecular weight of Ethyl 2-thiopheneglyoxylate?
The molecular weight of Ethyl 2-thiopheneglyoxylate is 184.02 g/mol.
Where can I buy Ethyl 2-thiopheneglyoxylate?
You can request a quote for Ethyl 2-thiopheneglyoxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-thiopheneglyoxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-thiopheneglyoxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.