TL;DR: Benazeprilat (CAS 86541-78-8) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid
Also Known As: Benazeprilat, Benazepril EP Impurity C, (3S)-3-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid, Benazeprilat; Benazepril USP Related Compound C; (3S)-3-[[(1S)-1-Carboxy-3-phenylpropyl]amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benazepine]-1-acetic acid
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.16852 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.16852 Da |
| Heavy Atoms | 29 |
| Complexity | 590.0 |
| SMILES | C1CC2=CC=CC=C2N(C(=O)[C@H]1N[C@H](CCC3=CC=CC=C3)C(=O)O)CC(=O)O |
| InChIKey | MADRIHWFJGRSBP-ZWKOTPCHSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benazeprilat. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benazeprilat. Following Lipinski's Rule of Five, Benazeprilat has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benazeprilat is 86541-78-8.
The molecular formula of Benazeprilat is C22H24N2O5.
The molecular weight of Benazeprilat is 396.16852 g/mol.
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