Tolrestat
TL;DR: Tolrestat (CAS 82964-04-3) is a chemical compound with molecular formula C16H14F3NO3S and molecular weight 357.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid
Also Known As: TOLRESTAT, Alredase, Tolrestatin, Lorestat, Tolrestatum
| Molecular Formula | C16H14F3NO3S |
|---|---|
| Molecular Weight | 357.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.06464 |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 82964-04-3 |
|---|---|
| SMILES | CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OC |
| InChIKey | LUBHDINQXIHVLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tolrestat (CAS 82964-04-3), with molecular formula C16H14F3NO3S and molecular weight 357.06 g/mol. IUPAC: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acid.
Chemical Property Profile of Tolrestat
Property Insights of Tolrestat
The XLogP value of 3.7 indicates that Tolrestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolrestat. Following Lipinski's Rule of Five, Tolrestat has 1 hydrogen bond donor(s) and 7 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 Tolrestat?
The CAS number of Tolrestat is 82964-04-3.
What is the molecular formula of Tolrestat?
The molecular formula of Tolrestat is C16H14F3NO3S.
What is the molecular weight of Tolrestat?
The molecular weight of Tolrestat is 357.06 g/mol.
Where can I buy Tolrestat?
You can request a quote for Tolrestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolrestat?
Yes, KEHONG BIO provides custom synthesis services for Tolrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.