Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
TL;DR: Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate (CAS 13892-51-8) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
Also Known As: MPA(Z)-OH, Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate, AKOS MSC-0286, ethyl 3-oxo-2-(2-thienylcarbonyl)butanoate, 3-Oxo-2-(thiophene-2-carbonyl)butyric acid ethyl ester
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.6991 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 394.1269 |
Chemical Identifiers
| CAS Number | 13892-51-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C1=CC=CS1 |
Product Overview
Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate (CAS 13892-51-8), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate.
Chemical Property Profile of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
Property Insights of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate
The XLogP value of 1.6991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-2-(thiophene-2-carbonyl)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 3-oxo-2-(thiophene-2-carbonyl)butanoate?
The CAS number of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate is 13892-51-8.
What is the molecular formula of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate?
The molecular formula of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate is C11H12O4S.
What is the molecular weight of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate?
The molecular weight of Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate is 240.05 g/mol.
Where can I buy Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate?
You can request a quote for Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate 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-2-(thiophene-2-carbonyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.