TL;DR: Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- (CAS 84213-95-6) is a chemical compound with molecular formula C22H30ClN2O+ and molecular weight 373.20468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
Also Known As: AMMONIUM, (o-CHLOROBENZYL)DIETHYL(((2,4,6-TRIMETHYLPHENYL)CARBAMOYL)METHYL)-, (o-Chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)ammonium, Benzenemethanaminium, 2-chloro-N,N-diethyl-N-(2-oxo-2-((2,4,6-trimethylphenyl)amino)ethyl)-, (2-chlorophenyl)methyl-diethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium, N-[(2-Chlorophenyl)methyl]-N,N-diethyl-2-oxo-2-(2,4,6-trimethylanilino)ethan-1-aminium
| Molecular Formula | C22H30ClN2O+ |
| Molecular Weight | 373.20468 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.20468 Da |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
| SMILES | CC[N+](CC)(CC1=CC=CC=C1Cl)CC(=O)NC2=C(C=C(C=C2C)C)C |
| InChIKey | GDUBXMOOQQAGDS-UHFFFAOYSA-O |
The XLogP value of 5.1 indicates that Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- is 84213-95-6.
The molecular formula of Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- is C22H30ClN2O+.
The molecular weight of Ammonium, (o-chlorobenzyl)diethyl(((2,4,6-trimethylphenyl)carbamoyl)methyl)- is 373.20468 g/mol.
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