TL;DR: RefChem:1056059 (CAS 63978-98-3) is a chemical compound with molecular formula C19H23Cl2NO and molecular weight 351.11566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-chloro-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-5-benzyloxy-8-chloro-N,N-dimethyl-, hydrochloride, 5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride, [8-Chloro-5-(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride, (8-chloro-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride, 1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-N,N-dimethyl-5-(phenylmethoxy)-, hydrochloride
| Molecular Formula | C19H23Cl2NO |
| Molecular Weight | 351.11566 g/mol |
| XLogP | 0.44 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.11566 Da |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
| SMILES | C[NH+](C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC=CC=C3.[Cl-] |
| InChIKey | VCCXEPGLINBAJG-UHFFFAOYSA-N |
The XLogP value of 0.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056059. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:1056059 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056059 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 RefChem:1056059 is 63978-98-3.
The molecular formula of RefChem:1056059 is C19H23Cl2NO.
The molecular weight of RefChem:1056059 is 351.11566 g/mol.
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