TL;DR: 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride (CAS 73987-09-4) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-dibenzyl-1,3-dioxolan-4-yl)methyl-diethylazanium chloride
Also Known As: 2,2-Dibenzyl-4-diethylaminomethyl-1,3-dioxolane hydrochloride, 1,3-DIOXOLANE, 2,2-DIBENZYL-4-(DIETHYLAMINOMETHYL)-, HYDROCHLORIDE, (2,2-dibenzyl-1,3-dioxolan-4-yl)methyl-diethylazanium chloride, 1,3-Dioxolane-4-methanamine, N,N-diethyl-2,2-bis(phenylmethyl)-, hydrochloride
| Molecular Formula | C22H30ClNO2 |
| Molecular Weight | 375.1965 g/mol |
| XLogP | -0.49 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.1965 Da |
| Heavy Atoms | 26 |
| Complexity | 350.0 |
| SMILES | CC[NH+](CC)CC1COC(O1)(CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-] |
| InChIKey | YPDAGBXHBQAKAO-UHFFFAOYSA-N |
The XLogP value of -0.49 indicates that 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride is 73987-09-4.
The molecular formula of 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride is C22H30ClNO2.
The molecular weight of 1,3-Dioxolane, 2,2-dibenzyl-4-(diethylaminomethyl)-, hydrochloride is 375.1965 g/mol.
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