Benurestat
TL;DR: Benurestat (CAS 38274-54-3) is a chemical compound with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(hydroxyamino)-2-oxoethyl]benzamide
Also Known As: Benurestat, Benurestate, Benurstat, Benurestatum, Benurestato
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 38274-54-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)NO)Cl |
| InChIKey | JFZGBMJPJZDNNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benurestat (CAS 38274-54-3), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: 4-chloro-N-[2-(hydroxyamino)-2-oxoethyl]benzamide.
Chemical Property Profile of Benurestat
Property Insights of Benurestat
The XLogP value of -0.3 indicates that Benurestat is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benurestat. Following Lipinski's Rule of Five, Benurestat has 3 hydrogen bond donor(s) and 3 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 Benurestat?
The CAS number of Benurestat is 38274-54-3.
What is the molecular formula of Benurestat?
The molecular formula of Benurestat is C9H9ClN2O3.
What is the molecular weight of Benurestat?
The molecular weight of Benurestat is 228.03 g/mol.
Where can I buy Benurestat?
You can request a quote for Benurestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benurestat?
Yes, KEHONG BIO provides custom synthesis services for Benurestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.