TL;DR: Ranirestat (CAS 147254-65-7) is a chemical compound with molecular formula C17H11BrFN3O4 and molecular weight 418.9917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
Also Known As: Ranirestat, SX 3030, SX 3202, Spiro(pyrrolidine-3,4'(1'H)-pyrrolo(1,2-a)pyrazine)-1',2,3',5(2'H)-tetrone, 2'-((4-bromo-2-fluorophenyl)methyl)-, (3R)-2'-[(4-bromo-2-fluorophenyl)methyl]spiro[pyrrolidine-3,4'-pyrrolo[1,2-a]pyrazine]-1',2,3',5-tetrone
| Molecular Formula | C17H11BrFN3O4 |
| Molecular Weight | 418.9917 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.9917 Da |
| Heavy Atoms | 26 |
| Complexity | 689.0 |
| SMILES | C1C(=O)NC(=O)C12C(=O)N(C(=O)C3=CC=CN23)CC4=C(C=C(C=C4)Br)F |
| InChIKey | QCVNMNYRNIMDKV-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ranirestat. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ranirestat. Following Lipinski's Rule of Five, Ranirestat has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ranirestat is 147254-65-7.
The molecular formula of Ranirestat is C17H11BrFN3O4.
The molecular weight of Ranirestat is 418.9917 g/mol.
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