TL;DR: Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide (CAS 26095-61-4) is a chemical compound with molecular formula C31H47IN2O4 and molecular weight 638.25806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-decoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium iodide
Also Known As: Diethylmethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)ammonium iodide, Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide, 2-[4-[(2-decoxybenzoyl)amino]benzoyl]oxyethyl-diethyl-methylazanium iodide, Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, p-[o-(decyloxy)benzamido]benzoate, Ethanaminium, 2-[[4-[[2-(decyloxy)benzoyl]amino]benzoyl]oxy]-N,N-diethyl-N-methyl-, iodide
| Molecular Formula | C31H47IN2O4 |
| Molecular Weight | 638.25806 g/mol |
| XLogP | 4.11 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 638.25806 Da |
| Heavy Atoms | 38 |
| Complexity | 629.0 |
| SMILES | CCCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[I-] |
| InChIKey | LMWYKZWPFDTSBB-UHFFFAOYSA-N |
The XLogP value of 4.11 indicates that Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide 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, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide. Following Lipinski's Rule of Five, Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide is 26095-61-4.
The molecular formula of Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide is C31H47IN2O4.
The molecular weight of Ammonium, diethyl(2-(4-(2-decyloxybenzamido)benzoyloxy)ethyl)methyl-, iodide is 638.25806 g/mol.
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