TL;DR: alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride (CAS 131964-52-8) is a chemical compound with molecular formula C16H24ClNO2S and molecular weight 329.12164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-benzothiophen-5-yl)-2-[4-(dimethylamino)butoxy]ethanol;hydrochloride
Also Known As: alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride, alpha-((4- benzo thiophene-5-methanolhydrochloride, Benzo(b)thiophene-5-methanol, alpha-((4-(dimethylamino)butoxy)methyl)-, hydrochloride, Benzo[b]thiophene-5-methanol,a-[[4-(dimethylamino)butoxy]methyl]-,hydrochloride (1:1), 1-(1-benzothiophen-5-yl)-2-[4-(dimethylamino)butoxy]ethanol;hydrochloride
| Molecular Formula | C16H24ClNO2S |
| Molecular Weight | 329.12164 g/mol |
| XLogP | 3.7149 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.12164 Da |
| Heavy Atoms | 21 |
| Complexity | 275.0 |
| SMILES | CN(C)CCCCOCC(C1=CC2=C(C=C1)SC=C2)O.Cl |
| InChIKey | UFBGTYARJXZHJJ-UHFFFAOYSA-N |
The XLogP value of 3.7149 indicates that alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride. Following Lipinski's Rule of Five, alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride is 131964-52-8.
The molecular formula of alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride is C16H24ClNO2S.
The molecular weight of alpha-((4-(Dimethylamino)butoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride is 329.12164 g/mol.
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