Ponalrestat
TL;DR: Ponalrestat (CAS 72702-95-5) is a chemical compound with molecular formula C17H12BrFN2O3 and molecular weight 390.00153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
Also Known As: statil, PONALRESTAT, Ponalrestatum, Prodiax, Ponalrestatum [Latin]
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H12BrFN2O3 |
| Molecular Weight | 390.00153 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.00153 Da |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
| InChIKey | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
Product Description
Applications: Ponalrestat 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 Ponalrestat (CAS 72702-95-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ponalrestat (CAS 72702-95-5) is a pharmaceutical intermediate with the molecular formula C17H12BrFN2O3 and a molecular weight of 390 g/mol. It is also known as statil and PONALRESTAT.
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 Ponalrestat
Property Insights of Ponalrestat
The XLogP value of 3.2 indicates that Ponalrestat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ponalrestat. Following Lipinski's Rule of Five, Ponalrestat 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 Ponalrestat?
The CAS number of Ponalrestat is 72702-95-5.
What is the molecular formula of Ponalrestat?
The molecular formula of Ponalrestat is C17H12BrFN2O3.
What is the molecular weight of Ponalrestat?
The molecular weight of Ponalrestat is 390.00153 g/mol.
What are the applications of Ponalrestat?
Ponalrestat 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 Ponalrestat (CAS 72702-95-5) with custom...
Where can I buy Ponalrestat?
You can request a quote for Ponalrestat directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ponalrestat?
Yes, CoreyChem provides custom synthesis services for Ponalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.