TL;DR: RefChem:345084 (CAS 13313-84-3) is a chemical compound with molecular formula C22H38ClNO and molecular weight 367.2642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[2-[2-propan-2-yl-1-(2-propan-2-ylphenyl)cyclohexyl]oxyethyl]azanium chloride
Also Known As: Ethylamine, 2-((1-o-cumenyl-2-isopropylcyclohexyl)oxy)-N,N-dimethyl-, hydrochloride, 2-((1-o-Cumenyl-2-isopropylcyclohexyl)oxy)-N,N-dimethylethylamine hydrochloride, dimethyl-[2-[2-propan-2-yl-1-(2-propan-2-ylphenyl)cyclohexyl]oxyethyl]azanium chloride
| Molecular Formula | C22H38ClNO |
| Molecular Weight | 367.2642 g/mol |
| XLogP | 1.02 |
| Topological Polar Surface Area (TPSA) | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.2642 Da |
| Heavy Atoms | 25 |
| Complexity | 365.0 |
| SMILES | CC(C)C1CCCCC1(C2=CC=CC=C2C(C)C)OCC[NH+](C)C.[Cl-] |
| InChIKey | WDZCYFKNLFQIRQ-UHFFFAOYSA-N |
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345084. With a topological polar surface area (TPSA) of 13.7 Ų, RefChem:345084 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:345084 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:345084 is 13313-84-3.
The molecular formula of RefChem:345084 is C22H38ClNO.
The molecular weight of RefChem:345084 is 367.2642 g/mol.
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