3-Rhodanineacetic acid, ethyl ester
TL;DR: 3-Rhodanineacetic acid, ethyl ester (CAS 23176-01-4) is a chemical compound with molecular formula C7H9NO3S2 and molecular weight 219.00 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)acetate
Also Known As: Epalrestat Impurity 2, 3-Rhodanineacetic acid, ethyl ester, Epalrestat Impurity 20, Epalrestat Impurity 20, 3-carboethoxymethylrhodanine
| Molecular Formula | C7H9NO3S2 |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.00238 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 23176-01-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)CSC1=S |
| InChIKey | QDRLGCJQLOXVLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Rhodanineacetic acid, ethyl ester (CAS 23176-01-4), with molecular formula C7H9NO3S2 and molecular weight 219.00 g/mol. IUPAC: ethyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate.
Chemical Property Profile of 3-Rhodanineacetic acid, ethyl ester
Property Insights of 3-Rhodanineacetic acid, ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Rhodanineacetic acid, ethyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Rhodanineacetic acid, ethyl ester. Following Lipinski's Rule of Five, 3-Rhodanineacetic 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 3-Rhodanineacetic acid, ethyl ester?
The CAS number of 3-Rhodanineacetic acid, ethyl ester is 23176-01-4.
What is the molecular formula of 3-Rhodanineacetic acid, ethyl ester?
The molecular formula of 3-Rhodanineacetic acid, ethyl ester is C7H9NO3S2.
What is the molecular weight of 3-Rhodanineacetic acid, ethyl ester?
The molecular weight of 3-Rhodanineacetic acid, ethyl ester is 219.00 g/mol.
Where can I buy 3-Rhodanineacetic acid, ethyl ester?
You can request a quote for 3-Rhodanineacetic 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 3-Rhodanineacetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Rhodanineacetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.