TL;DR: Litoxetine (CAS 86811-09-8) is a chemical compound with molecular formula C16H19NO and molecular weight 241.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(naphthalen-2-ylmethoxy)piperidine
Also Known As: Litoxetine, Litoxetina, Litoxetinum, Litoxetine [INN], 4-(2-Naphthylmethoxy)piperidine
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H19NO |
| Molecular Weight | 241.14667 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.14667 Da |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
| SMILES | C1CNCCC1OCC2=CC3=CC=CC=C3C=C2 |
| InChIKey | MJJDYOLPMGIWND-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Litoxetine. With a topological polar surface area (TPSA) of 21.3 Ų, Litoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Litoxetine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Litoxetine is 86811-09-8.
The molecular formula of Litoxetine is C16H19NO.
The molecular weight of Litoxetine is 241.14667 g/mol.
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