TL;DR: N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine (CAS 92642-94-9) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Also Known As: Benoxathian, BENZOXATHIAN, Benoxathian hydrochloride, Lopac0_000225, KST-1B9524
| Molecular Formula | C19H23NO4S |
| Molecular Weight | 361.13477 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.13477 Da |
| Heavy Atoms | 25 |
| Complexity | 374.0 |
| SMILES | COC1=C(C(=CC=C1)OC)OCCNCC2CSC3=CC=CC=C3O2 |
| InChIKey | QAUVAHYHKLRJCQ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine. Following Lipinski's Rule of Five, N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine has 1 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-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine is 92642-94-9.
The molecular formula of N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine is C19H23NO4S.
The molecular weight of N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzoxathiin-2-methanamine is 361.13477 g/mol.
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