Minalrestat
TL;DR: Minalrestat (CAS 19188-69-3) is a chemical compound with molecular formula C19H11BrF2N2O4 and molecular weight 447.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Also Known As: Minalrestat, minalrestatum, Bffipt, WAY-ARI-509, way-ari 509
| Molecular Formula | C19H11BrF2N2O4 |
|---|---|
| Molecular Weight | 447.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.98703 |
| Heavy Atoms | 28 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 19188-69-3 |
|---|---|
| SMILES | C1C(=O)NC(=O)C12C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F |
| InChIKey | BMHZAHGTGIZZCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Minalrestat (CAS 19188-69-3), with molecular formula C19H11BrF2N2O4 and molecular weight 447.99 g/mol. IUPAC: 2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone.
Chemical Property Profile of Minalrestat
Property Insights of Minalrestat
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Minalrestat. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Minalrestat. Following Lipinski's Rule of Five, Minalrestat has 1 hydrogen bond donor(s) and 6 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 Minalrestat?
The CAS number of Minalrestat is 19188-69-3.
What is the molecular formula of Minalrestat?
The molecular formula of Minalrestat is C19H11BrF2N2O4.
What is the molecular weight of Minalrestat?
The molecular weight of Minalrestat is 447.99 g/mol.
Where can I buy Minalrestat?
You can request a quote for Minalrestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Minalrestat?
Yes, KEHONG BIO provides custom synthesis services for Minalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.