Epalrestat Impurity 3
TL;DR: Epalrestat Impurity 3 (CAS 682775-71-9) is a chemical compound with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: Epalrestat Impurity 3, Ethyl 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, ethyl 2-[5-(2-methyl-3-phenylprop-2-en-1-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, ethyl 2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C17H17NO3S2 |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.3972 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.06497 |
| Heavy Atoms | 23 |
| Complexity | 680.3387 |
Chemical Identifiers
| CAS Number | 682775-71-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=CC(=CC2=CC=CC=C2)C)SC1=S |
Product Overview
Epalrestat Impurity 3 (CAS 682775-71-9), with molecular formula C17H17NO3S2 and molecular weight 347.06 g/mol. IUPAC: ethyl 2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of Epalrestat Impurity 3
Property Insights of Epalrestat Impurity 3
The XLogP value of 3.3972 indicates that Epalrestat Impurity 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Epalrestat Impurity 3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epalrestat Impurity 3 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 Epalrestat Impurity 3?
The CAS number of Epalrestat Impurity 3 is 682775-71-9.
What is the molecular formula of Epalrestat Impurity 3?
The molecular formula of Epalrestat Impurity 3 is C17H17NO3S2.
What is the molecular weight of Epalrestat Impurity 3?
The molecular weight of Epalrestat Impurity 3 is 347.06 g/mol.
Where can I buy Epalrestat Impurity 3?
You can request a quote for Epalrestat Impurity 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epalrestat Impurity 3?
Yes, KEHONG BIO provides custom synthesis services for Epalrestat Impurity 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.