Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
TL;DR: Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester (CAS 326886-39-9) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) benzoate
Also Known As: (2-oxo-2-thiophen-2-ylethyl) benzoate, (2-thenoyl)methyl benzoate, 2-oxo-2-(thiophen-2-yl)ethyl benzoate, 2-oxo-2-(2-thienyl)ethyl benzoate, benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
| Molecular Formula | C13H10O3S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.7878 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.03506 |
| Heavy Atoms | 17 |
| Complexity | 502.72556 |
Chemical Identifiers
| CAS Number | 326886-39-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2 |
Product Overview
Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester (CAS 326886-39-9), with molecular formula C13H10O3S and molecular weight 246.04 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) benzoate.
Chemical Property Profile of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
Property Insights of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
The XLogP value of 2.7878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester. With a topological polar surface area (TPSA) of 43.37 Ų, Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester 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 Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester?
The CAS number of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester is 326886-39-9.
What is the molecular formula of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester?
The molecular formula of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester is C13H10O3S.
What is the molecular weight of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester?
The molecular weight of Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester is 246.04 g/mol.
Where can I buy Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester?
You can request a quote for Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.