TL;DR: Mixanpril (CAS 156039-69-9) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S,3R)-2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid
Also Known As: Mixanpril, RB-105 Prodrug, (2S)-2-[[(2S,3R)-2-(benzoylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid, ((2S,3R)-2-((benzoylthio)methyl)-3-phenylbutanoyl)-L-alanine, L-Alanine, N-(2-((benzoylthio)methyl)-1-oxo-3-phenylbutyl)-, (S-(R*,S*))-
| Molecular Formula | C21H23NO4S |
| Molecular Weight | 385.13477 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.13477 Da |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
| SMILES | C[C@@H](C1=CC=CC=C1)[C@H](CSC(=O)C2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)O |
| InChIKey | GKYIONYOYVKKQI-MPGHIAIKSA-N |
The XLogP value of 3.9 indicates that Mixanpril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mixanpril. Following Lipinski's Rule of Five, Mixanpril has 2 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 Mixanpril is 156039-69-9.
The molecular formula of Mixanpril is C21H23NO4S.
The molecular weight of Mixanpril is 385.13477 g/mol.
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