TL;DR: RefChem:232381 (CAS 63978-77-8) is a chemical compound with molecular formula C20H25Cl2NO and molecular weight 365.13132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-chloro-5-[(4-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride
Also Known As: 1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-(4-methylbenzyloxy)-, hydrochloride, [8-chloro-5-[(4-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-dimethylazanium chloride, 1-NAPHTHYLAMINE, 1,2,3,4-TETRAHYDRO-8-CHLORO-N,N-DIMETHYL-5-(4-METHYLBENZYLOXY)-, 1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-N,N-dimethyl-5-[(4-methylphenyl)methoxy]-, hydrochloride
| Molecular Formula | C20H25Cl2NO |
| Molecular Weight | 365.13132 g/mol |
| XLogP | 0.75 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.13132 Da |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
| SMILES | CC1=CC=C(C=C1)COC2=C3CCCC(C3=C(C=C2)Cl)[NH+](C)C.[Cl-] |
| InChIKey | OURLGLBGDIJVQG-UHFFFAOYSA-N |
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:232381. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:232381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:232381 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:232381 is 63978-77-8.
The molecular formula of RefChem:232381 is C20H25Cl2NO.
The molecular weight of RefChem:232381 is 365.13132 g/mol.
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