TL;DR: Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride (CAS 16785-21-0) is a chemical compound with molecular formula C22H35ClN2O4 and molecular weight 426.22855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-cyclohexylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
Also Known As: 1-Cyclohexyl-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrochloride, Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride, Piperazine, 1-cyclohexyl-4-(3,4,5-trimethoxybenzoylethyl)-, hydrochloride, 3-(4-Cyclohexylpiperazinyl)-3',4',5'-trimethoxypropiophenone hydrochloride, 3-(4-cyclohexylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
| Molecular Formula | C22H35ClN2O4 |
| Molecular Weight | 426.22855 g/mol |
| XLogP | 3.6573 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.22855 Da |
| Heavy Atoms | 29 |
| Complexity | 461.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3CCCCC3.Cl |
| InChIKey | VQJQXUQBPZOANL-UHFFFAOYSA-N |
The XLogP value of 3.6573 indicates that Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride is 16785-21-0.
The molecular formula of Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride is C22H35ClN2O4.
The molecular weight of Propiophenone, 3-(4-cyclohexylpiperazinyl)-3',4',5'-trimethoxy-, hydrochloride is 426.22855 g/mol.
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