TL;DR: N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1052526-18-7) is a chemical compound with molecular formula C16H20ClN5OS and molecular weight 365.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[(2-methoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride, N-[(2-methoxynaphthalen-1-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
| Molecular Formula | C16H20ClN5OS |
| Molecular Weight | 365.1077 g/mol |
| XLogP | 2.6756 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1077 Da |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C=CC3=CC=CC=C32)OC.Cl |
| InChIKey | VVOLHXFGCMCELX-UHFFFAOYSA-N |
The XLogP value of 2.6756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. Following Lipinski's Rule of Five, N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1052526-18-7.
The molecular formula of N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C16H20ClN5OS.
The molecular weight of N-((2-methoxynaphthalen-1-yl)methyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 365.1077 g/mol.
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