TL;DR: Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide (CAS 50558-10-6) is a chemical compound with molecular formula C33H63Br2ClN2 and molecular weight 680.3046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl-[10-[dodecyl(dimethyl)azaniumyl]decyl]-dimethylazanium dibromide
Also Known As: 1-(p-Chlorophenyl)-2,2,13,13-tetramethyl-2,13-diazoniapentacosane dibromide, AMMONIUM, (p-CHLOROBENZYL)(10-(DIMETHYLDODECYLAMMONIO)DECYL)DIMETHYL-, DIBROMIDE, 10-[(4-Chlorophenyl)methyl-dimethylazaniumyl]decyl-dodecyl-dimethylazanium dibromide, (4-chlorophenyl)methyl-[10-[dodecyl(dimethyl)azaniumyl]decyl]-dimethylazanium dibromide, N~1~-[(4-Chlorophenyl)methyl]-N~10~-dodecyl-N~1~,N~1~,N~10~,N~10~-tetramethyldecane-1,10-bis(aminium) dibromide
| Molecular Formula | C33H63Br2ClN2 |
| Molecular Weight | 680.3046 g/mol |
| XLogP | 4.04 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 24 |
| Exact Mass | 682.3026 Da |
| Heavy Atoms | 38 |
| Complexity | 482.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)Cl.[Br-].[Br-] |
| InChIKey | CGSFZIPYQQJKSO-UHFFFAOYSA-L |
The XLogP value of 4.04 indicates that Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide is 50558-10-6.
The molecular formula of Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide is C33H63Br2ClN2.
The molecular weight of Ammonium, (p-chlorobenzyl)(10-(dimethyldodecylammonio)decyl)dimethyl-, dibromide is 680.3046 g/mol.
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