Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
TL;DR: Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate (CAS 36983-36-5) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate
Also Known As: ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate, ethyl 2,4-dioxo-4-(2-thienyl)butanoate, AKOS MSC-0268, ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate, 2,4-Dioxo-4-thiophen-2-yl-butyric acid ethyl ester
| Molecular Formula | C10H10O4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.4531 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.02998 |
| Heavy Atoms | 15 |
| Complexity | 366.78394 |
Chemical Identifiers
| CAS Number | 36983-36-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=CS1 |
Product Overview
Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate (CAS 36983-36-5), with molecular formula C10H10O4S and molecular weight 226.03 g/mol. IUPAC: ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate.
Chemical Property Profile of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
Property Insights of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate
The XLogP value of 1.4531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate 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 2,4-dioxo-4-(thiophen-2-yl)butanoate?
The CAS number of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate is 36983-36-5.
What is the molecular formula of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate?
The molecular formula of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate is C10H10O4S.
What is the molecular weight of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate?
The molecular weight of Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate is 226.03 g/mol.
Where can I buy Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate?
You can request a quote for Ethyl 2,4-dioxo-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 2,4-dioxo-4-(thiophen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxo-4-(thiophen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.