Epalrestat
TL;DR: Epalrestat (CAS 124782-64-5) is a chemical compound with molecular formula C15H13NO3S2 and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: epalrestat, Kinedak, Epalrestatum, Aldonil, Aldorin
| Molecular Formula | C15H13NO3S2 |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 2.9187 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0337 |
| Heavy Atoms | 21 |
| Complexity | 650.1424 |
Chemical Identifiers
| CAS Number | 124782-64-5 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
Epalrestat (CAS 124782-64-5), with molecular formula C15H13NO3S2 and molecular weight 319.03 g/mol. IUPAC: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of Epalrestat
Property Insights of Epalrestat
The XLogP value of 2.9187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epalrestat. With a topological polar surface area (TPSA) of 57.61 Ų, Epalrestat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epalrestat has 1 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 Epalrestat?
The CAS number of Epalrestat is 124782-64-5.
What is the molecular formula of Epalrestat?
The molecular formula of Epalrestat is C15H13NO3S2.
What is the molecular weight of Epalrestat?
The molecular weight of Epalrestat is 319.03 g/mol.
Where can I buy Epalrestat?
You can request a quote for Epalrestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epalrestat?
Yes, KEHONG BIO provides custom synthesis services for Epalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.