4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid
TL;DR: 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid (CAS 91061-68-6) 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.
4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid
Also Known As: 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid, Epitope ID:167703, 4-(5-ethyl-2-thienyl)-4-oxobutyric acid, 4-(5-Ethyl-thiophen-2-yl)-4-oxo-butyric acid, 4-(5-ethyl-2-thienyl)-4-oxobutanoic acid
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.358 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 340.89124 |
Chemical Identifiers
| CAS Number | 91061-68-6 |
|---|---|
| SMILES | CCC1=CC=C(S1)C(=O)CCC(=O)O |
Product Overview
4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid (CAS 91061-68-6), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid
Property Insights of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid
The XLogP value of 2.358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid is 91061-68-6.
What is the molecular formula of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid is C10H12O3S.
What is the molecular weight of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid is 212.05 g/mol.
Where can I buy 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Ethylthiophen-2-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.