TL;DR: Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride (CAS 16584-12-6) is a chemical compound with molecular formula C13H17ClFNOS and molecular weight 289.07034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[ethyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
Also Known As: Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride, 2-(Ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)ethanol hydrochloride, 2-[ethyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol hydrochloride, 2-{Ethyl[(5-fluoro-1-benzothiophen-3-yl)methyl]amino}ethan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C13H17ClFNOS |
| Molecular Weight | 289.07034 g/mol |
| XLogP | 3.2764 |
| Topological Polar Surface Area (TPSA) | 51.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.07034 Da |
| Heavy Atoms | 18 |
| Complexity | 241.0 |
| SMILES | CCN(CCO)CC1=CSC2=C1C=C(C=C2)F.Cl |
| InChIKey | AQCOOXFDIBUXKM-UHFFFAOYSA-N |
The XLogP value of 3.2764 indicates that Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, 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-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, 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 Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride is 16584-12-6.
The molecular formula of Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride is C13H17ClFNOS.
The molecular weight of Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride is 289.07034 g/mol.
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