(R)-minalrestat
TL;DR: (R)-minalrestat (CAS 129688-57-9) 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.
(4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
Also Known As: Minalrestat, (R)-minalrestat, 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, (4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone, BFI
| 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 | 129688-57-9 |
|---|---|
| SMILES | C1C(=O)NC(=O)[C@]12C3=C(C=CC(=C3)F)C(=O)N(C2=O)CC4=C(C=C(C=C4)Br)F |
| InChIKey | BMHZAHGTGIZZCT-LJQANCHMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(R)-minalrestat (CAS 129688-57-9), with molecular formula C19H11BrF2N2O4 and molecular weight 447.99 g/mol. IUPAC: (4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluorospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone.
Chemical Property Profile of (R)-minalrestat
Property Insights of (R)-minalrestat
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-minalrestat. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-minalrestat. Following Lipinski's Rule of Five, (R)-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 (R)-minalrestat?
The CAS number of (R)-minalrestat is 129688-57-9.
What is the molecular formula of (R)-minalrestat?
The molecular formula of (R)-minalrestat is C19H11BrF2N2O4.
What is the molecular weight of (R)-minalrestat?
The molecular weight of (R)-minalrestat is 447.99 g/mol.
Where can I buy (R)-minalrestat?
You can request a quote for (R)-minalrestat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-minalrestat?
Yes, KEHONG BIO provides custom synthesis services for (R)-minalrestat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.