TL;DR: Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride (CAS 16584-15-9) is a chemical compound with molecular formula C15H21BrClNOS and molecular weight 377.02158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol;hydrochloride
Also Known As: Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride, 2-(((5-Bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)ethanol hydrochloride, Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)(1,1-dimethylethyl)amino)-, hydrochloride, 2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol hydrochloride, 2-{[(5-Bromo-1-benzothiophen-3-yl)methyl](tert-butyl)amino}ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C15H21BrClNOS |
| Molecular Weight | 377.02158 g/mol |
| XLogP | 4.6784 |
| Topological Polar Surface Area (TPSA) | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.02158 Da |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
| SMILES | CC(C)(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Br.Cl |
| InChIKey | SJNXNNXDKMJQOX-UHFFFAOYSA-N |
The XLogP value of 4.6784 indicates that Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.7 Ų, Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride is 16584-15-9.
The molecular formula of Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride is C15H21BrClNOS.
The molecular weight of Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride is 377.02158 g/mol.
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