TL;DR: Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride (CAS 160518-38-7) is a chemical compound with molecular formula C17H24Cl2N2O2S and molecular weight 390.09357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-4-hexoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride
Also Known As: Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride, Acetophenone, 3'-chloro-2-(2-imidazolin-2-ylthio)-4'-(hexyloxy)-, monohydrochloride, 1-(3-chloro-4-hexoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone hydrochloride, 1-(3-chloro-4-hexoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone;hydrochloride, 1-(3-chloro-4-hexoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone,hydrochloride
| Molecular Formula | C17H24Cl2N2O2S |
| Molecular Weight | 390.09357 g/mol |
| XLogP | 4.596 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 390.09357 Da |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
| SMILES | CCCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)Cl.Cl |
| InChIKey | DLMDTYQAOCGTJT-UHFFFAOYSA-N |
The XLogP value of 4.596 indicates that Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. Following Lipinski's Rule of Five, Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride 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 Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 160518-38-7.
The molecular formula of Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is C17H24Cl2N2O2S.
The molecular weight of Ethanone, 1-(3-chloro-4-(hexyloxy)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 390.09357 g/mol.
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