Zopolrestat
TL;DR: Zopolrestat (CAS 110703-94-1) is a chemical compound with molecular formula C19H12F3N3O3S and molecular weight 419.05515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid
Also Known As: ZOPOLRESTAT, Alond, Zopolrestatum, Xedia, Zopalrestat
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H12F3N3O3S |
| Molecular Weight | 419.05515 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05515 Da |
| Heavy Atoms | 29 |
| Complexity | 702.0 |
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O |
| InChIKey | BCSVCWVQNOXFGL-UHFFFAOYSA-N |
Product Description
Applications: Zopolrestat 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Zopolrestat (CAS 110703-94-1) has the molecular formula C19H12F3N3O3S and a molecular weight of 419.06 g/mol. Synonyms include ZOPOLRESTAT and Alond.
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 Zopolrestat
Property Insights of Zopolrestat
The XLogP value of 3.5 indicates that Zopolrestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Zopolrestat. Following Lipinski's Rule of Five, Zopolrestat has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Zopolrestat?
The CAS number of Zopolrestat is 110703-94-1.
What is the molecular formula of Zopolrestat?
The molecular formula of Zopolrestat is C19H12F3N3O3S.
What is the molecular weight of Zopolrestat?
The molecular weight of Zopolrestat is 419.05515 g/mol.
What are the applications of Zopolrestat?
Zopolrestat 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. Available from CoreyChem as both catalog item and...
Where can I buy Zopolrestat?
You can request a quote for Zopolrestat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Zopolrestat?
Yes, CoreyChem provides custom synthesis services for Zopolrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.