Zenarestat
TL;DR: Zenarestat (CAS 112733-06-9) is a chemical compound with molecular formula C17H11BrClFN2O4 and molecular weight 439.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
Also Known As: Zenarestat, Zenarestatum, Zenarestat [INN], Enorfloxacin HCL, Zenarestat [USAN:INN]
| Molecular Formula | C17H11BrClFN2O4 |
|---|---|
| Molecular Weight | 439.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.9575 |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 112733-06-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
| InChIKey | SXONDGSPUVNZLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zenarestat (CAS 112733-06-9), with molecular formula C17H11BrClFN2O4 and molecular weight 439.96 g/mol. IUPAC: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid.
Chemical Property Profile of Zenarestat
Property Insights of Zenarestat
The XLogP value of 3.3 indicates that Zenarestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Zenarestat. Following Lipinski's Rule of Five, Zenarestat 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 Zenarestat?
The CAS number of Zenarestat is 112733-06-9.
What is the molecular formula of Zenarestat?
The molecular formula of Zenarestat is C17H11BrClFN2O4.
What is the molecular weight of Zenarestat?
The molecular weight of Zenarestat is 439.96 g/mol.
Where can I buy Zenarestat?
You can request a quote for Zenarestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zenarestat?
Yes, KEHONG BIO provides custom synthesis services for Zenarestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.