Ponalrestat
TL;DR: Ponalrestat (CAS 72702-95-5) is a chemical compound with molecular formula C17H12BrFN2O3 and molecular weight 390.00 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]-4-oxophthalazin-1-yl]acetic acid
Also Known As: statil, PONALRESTAT, Ponalrestatum, Prodiax, Ponalrestatum [Latin]
| Molecular Formula | C17H12BrFN2O3 |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.00153 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 72702-95-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
| InChIKey | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ponalrestat (CAS 72702-95-5), with molecular formula C17H12BrFN2O3 and molecular weight 390.00 g/mol. IUPAC: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetic acid.
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
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 390.00 g/mol.
Where can I buy Ponalrestat?
You can request a quote for Ponalrestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ponalrestat?
Yes, KEHONG BIO provides custom synthesis services for Ponalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.