Zenarestat
TL;DR: Zenarestat (CAS 112733-06-9) is a chemical compound with molecular formula C17H11BrClFN2O4 and molecular weight 439.9575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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]
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H11BrClFN2O4 |
| Molecular Weight | 439.9575 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.9575 Da |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
| 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 |
Product Description
Applications: Zenarestat 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 Zenarestat (CAS 112733-06-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Zenarestat (CAS 112733-06-9) is a pharmaceutical intermediate with the molecular formula C17H11BrClFN2O4 and a molecular weight of 439.96 g/mol. It is also known as Zenarestat and Zenarestatum.
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 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
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 439.9575 g/mol.
What are the applications of Zenarestat?
Zenarestat 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 Zenarestat (CAS 112733-06-9) with custom...
Where can I buy Zenarestat?
You can request a quote for Zenarestat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Zenarestat?
Yes, CoreyChem provides custom synthesis services for Zenarestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.