TL;DR: PNU 96391A (CAS 156907-84-5) is a chemical compound with molecular formula C15H23NO2S and molecular weight 281.14496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(3-methylsulfonylphenyl)-1-propylpiperidine
Also Known As: PNU 96391A, -OSU, (-)-OSU, (-)-OSU6162, OSU 6162
| Molecular Formula | C15H23NO2S |
| Molecular Weight | 281.14496 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.14496 Da |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
| SMILES | CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)C |
| InChIKey | GZVBVBMMNFIXGE-CQSZACIVSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PNU 96391A. With a topological polar surface area (TPSA) of 45.8 Ų, PNU 96391A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PNU 96391A has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of PNU 96391A is 156907-84-5.
The molecular formula of PNU 96391A is C15H23NO2S.
The molecular weight of PNU 96391A is 281.14496 g/mol.
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