Ethyl 4-oxo-4-(thiophen-2-yl)butanoate
TL;DR: Ethyl 4-oxo-4-(thiophen-2-yl)butanoate (CAS 59086-25-8) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-4-thiophen-2-ylbutanoate
Also Known As: ethyl 4-oxo-4-(thiophen-2-yl)butanoate, 4-Oxo-4-thiophen-2-yl-butyric acid ethyl ester, ethyl 4-oxo-4-thiophen-2-ylbutanoate, Ethyl 3-(2-thenoyl)propionate, ethyl 4-(2-thienyl)-4-oxobutanoate
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.2741 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 303.17682 |
Chemical Identifiers
| CAS Number | 59086-25-8 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=CC=CS1 |
Product Overview
Ethyl 4-oxo-4-(thiophen-2-yl)butanoate (CAS 59086-25-8), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: ethyl 4-oxo-4-thiophen-2-ylbutanoate.
Chemical Property Profile of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate
Property Insights of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate
The XLogP value of 2.2741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4-(thiophen-2-yl)butanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-oxo-4-(thiophen-2-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-(thiophen-2-yl)butanoate 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 4-oxo-4-(thiophen-2-yl)butanoate?
The CAS number of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate is 59086-25-8.
What is the molecular formula of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate?
The molecular formula of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate is C10H12O3S.
What is the molecular weight of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate?
The molecular weight of Ethyl 4-oxo-4-(thiophen-2-yl)butanoate is 212.05 g/mol.
Where can I buy Ethyl 4-oxo-4-(thiophen-2-yl)butanoate?
You can request a quote for Ethyl 4-oxo-4-(thiophen-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-(thiophen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-(thiophen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.