依帕司他
TL;DR: 依帕司他 (CAS 82159-09-9) 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.
依帕司他
2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: epalrestat, Epalrestate, Epalrestatum, Kinedak, Epalrestat (E,Z)-Isomer
| Molecular Formula | C15H13NO3S2 |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0337 |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 82159-09-9 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | CHNUOJQWGUIOLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依帕司他 (CAS 82159-09-9), with molecular formula C15H13NO3S2 and molecular weight 319.03 g/mol. IUPAC: 2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 依帕司他
Property Insights of 依帕司他
The XLogP value of 3.8 indicates that epalrestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 依帕司他. Following Lipinski's Rule of Five, epalrestat has 1 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?
The CAS number of epalrestat is 82159-09-9.
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.