2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester
TL;DR: 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester (CAS 401604-26-0) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoate
Also Known As: 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester, ethyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoate, 2-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzoic acid ethyl ester, ethyl 2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)benzoate, Ethyl 2-(4-oxo-2-thioxothiazolidin-3-yl)benzoate
| Molecular Formula | C12H11NO3S2 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 2.228 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01804 |
| Heavy Atoms | 18 |
| Complexity | 499.79892 |
Chemical Identifiers
| CAS Number | 401604-26-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1N2C(=O)CSC2=S |
Product Overview
2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester (CAS 401604-26-0), with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol. IUPAC: ethyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoate.
Chemical Property Profile of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester
Property Insights of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester
The XLogP value of 2.228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester 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 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester?
The CAS number of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester is 401604-26-0.
What is the molecular formula of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester?
The molecular formula of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester is C12H11NO3S2.
What is the molecular weight of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester?
The molecular weight of 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester is 281.02 g/mol.
Where can I buy 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester?
You can request a quote for 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-2-thiOxothiazolidin-3-yl)-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.