TL;DR: Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride (CAS 14122-43-1) is a chemical compound with molecular formula C17H27ClN2S and molecular weight 326.15836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N'-cyclohexyl-N-propan-2-ylcarbamimidothioate;hydrochloride
Also Known As: 2-Benzyl-1-cyclohexyl-3-isopropyl-2-thiopseudourea hydrochloride, Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride, benzyl N'-cyclohexyl-N-propan-2-ylcarbamimidothioate hydrochloride, Benzyl N'-cyclohexyl-N-(propan-2-yl)carbamimidothioate--hydrogen chloride (1/1), Carbamimidothioic acid, N-cyclohexyl-N'-(1-methylethyl)-, phenylmethyl ester, monohydrochloride
| Molecular Formula | C17H27ClN2S |
| Molecular Weight | 326.15836 g/mol |
| XLogP | 5.0283 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.15836 Da |
| Heavy Atoms | 21 |
| Complexity | 289.0 |
| SMILES | CC(C)NC(=NC1CCCCC1)SCC2=CC=CC=C2.Cl |
| InChIKey | KDLUCVAMRKFHKR-UHFFFAOYSA-N |
The XLogP value of 5.0283 indicates that Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride is 14122-43-1.
The molecular formula of Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride is C17H27ClN2S.
The molecular weight of Pseudourea, 2-benzyl-1-cyclohexyl-3-isopropyl-2-thio-, hydrochloride is 326.15836 g/mol.
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