TL;DR: 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride (CAS 65424-59-1) is a chemical compound with molecular formula C20H36ClNO3 and molecular weight 373.23837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2,5-dimethoxyphenyl)-4-hydroxyoctan-2-yl]-diethylazanium chloride
Also Known As: 2-Diethylamino-4-(2,5-dimethoxyphenyl)-4-octanol hydrochloride, 4-OCTANOL, 2-DIETHYLAMINO-4-(2,5-DIMETHOXYPHENYL)-, HYDROCHLORIDE, [4-(2,5-dimethoxyphenyl)-4-hydroxyoctan-2-yl]-diethylazanium chloride, Benzenemethanol, .alpha.-butyl-.alpha.-[2-(diethylamino)propyl]-2,5-dimethoxy-, hydrochloride
| Molecular Formula | C20H36ClNO3 |
| Molecular Weight | 373.23837 g/mol |
| XLogP | -0.21 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 373.23837 Da |
| Heavy Atoms | 25 |
| Complexity | 335.0 |
| SMILES | CCCCC(CC(C)[NH+](CC)CC)(C1=C(C=CC(=C1)OC)OC)O.[Cl-] |
| InChIKey | QOZPKTMLMFRFFQ-UHFFFAOYSA-N |
The XLogP value of -0.21 indicates that 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride 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 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride is 65424-59-1.
The molecular formula of 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride is C20H36ClNO3.
The molecular weight of 4-Octanol, 2-diethylamino-4-(2,5-dimethoxyphenyl)-, hydrochloride is 373.23837 g/mol.
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