TL;DR: 2-(1-PIPERAZINYL)BENZYL ALCOHOL (CAS 160518-45-6) is a chemical compound with molecular formula C13H16Cl2N2O2S and molecular weight 334.03094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-4-methoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone;hydrochloride
Also Known As: 2-(1-PIPERAZINYL)BENZYL ALCOHOL, Acetophenone, 3'-chloro-4'-methoxy-2-((1-methyl-2-imidazolin-2-yl)thio)-, monohydrochloride, Ethanone, 1-(3-chloro-4-methoxyphenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride, 1-(3-CHLORO-4-METHOXY-PHENYL)-2-[(1-METHYL-4,5-DIHYDROIMIDAZOL-2-YL)SU LFANYL]ETHANONE HYDROCHLORIDE, 1-(3-chloro-4-methoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)su lfanyl]ethanone hydrochloride
| Molecular Formula | C13H16Cl2N2O2S |
| Molecular Weight | 334.03094 g/mol |
| XLogP | 2.9877 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.03094 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | CN1CCN=C1SCC(=O)C2=CC(=C(C=C2)OC)Cl.Cl |
| InChIKey | GNUDFRVIXZRNBY-UHFFFAOYSA-N |
The XLogP value of 2.9877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-PIPERAZINYL)BENZYL ALCOHOL. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-PIPERAZINYL)BENZYL ALCOHOL. Following Lipinski's Rule of Five, 2-(1-PIPERAZINYL)BENZYL ALCOHOL has 1 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 2-(1-PIPERAZINYL)BENZYL ALCOHOL is 160518-45-6.
The molecular formula of 2-(1-PIPERAZINYL)BENZYL ALCOHOL is C13H16Cl2N2O2S.
The molecular weight of 2-(1-PIPERAZINYL)BENZYL ALCOHOL is 334.03094 g/mol.
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