TL;DR: Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide (CAS 26187-16-6) is a chemical compound with molecular formula C30H45BrN2O4 and molecular weight 576.2563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
Also Known As: Otilonium Bromide Impurity 15, Desoctryl-Nonyl-Octylonium Bromide, Otilonium Bromide Impurity 14, Diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)ammonium bromide, Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide
| Molecular Formula | C30H45BrN2O4 |
| Molecular Weight | 576.2563 g/mol |
| XLogP | 3.72 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 576.2563 Da |
| Heavy Atoms | 37 |
| Complexity | 614.0 |
| SMILES | CCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-] |
| InChIKey | WVBVSBYZWUVPMZ-UHFFFAOYSA-N |
The XLogP value of 3.72 indicates that Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide. Following Lipinski's Rule of Five, Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide is 26187-16-6.
The molecular formula of Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide is C30H45BrN2O4.
The molecular weight of Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide is 576.2563 g/mol.
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