epalrestat
TL;DR: epalrestat (CAS 82159-09-9) is a chemical compound with molecular formula C15H13NO3S2 and molecular weight 319.0337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13NO3S2 |
| Molecular Weight | 319.0337 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.0337 Da |
| Heavy Atoms | 21 |
| Complexity | 519.0 |
| SMILES | CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O |
| InChIKey | CHNUOJQWGUIOLD-UHFFFAOYSA-N |
Product Description
Applications: epalrestat is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies epalrestat (CAS 82159-09-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, epalrestat (CAS 82159-09-9) has the molecular formula C15H13NO3S2 and a molecular weight of 319.03 g/mol. It is also known as epalrestat and Epalrestate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of epalrestat
Property Insights of epalrestat
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 epalrestat. 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
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 319.0337 g/mol.
What are the applications of epalrestat?
epalrestat is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies epalrestat (CAS 82159-09-9) with custom...
Where can I buy epalrestat?
You can request a quote for epalrestat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for epalrestat?
Yes, CoreyChem provides custom synthesis services for epalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.