TL;DR: Dioleoylethyl hydroxyethylmonium methosulfate (CAS 155042-51-6) is a chemical compound with molecular formula C44H85NO9S and molecular weight 803.5945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl-methyl-bis[2-[(Z)-octadec-9-enoyl]oxyethyl]azanium;methyl sulfate
Also Known As: TETRANYL CO-40, EINECS 306-600-1, dioleoylethyl hydroxyethylmonium methosulfate, EINECS 302-242-5, methylbis[2- ethyl]ammoniummethylsulphate
| Molecular Formula | C44H85NO9S |
| Molecular Weight | 803.5945 g/mol |
| XLogP | 10.6797 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 40 |
| Exact Mass | 803.5945 Da |
| Heavy Atoms | 55 |
| Complexity | 813.0 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCC/C=C\CCCCCCCC)(CCO)C.COS(=O)(=O)[O-] |
| InChIKey | LEEPBJHNOBBYOU-YIQDKWKASA-M |
The XLogP value of 10.6797 indicates that Dioleoylethyl hydroxyethylmonium methosulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Dioleoylethyl hydroxyethylmonium methosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dioleoylethyl hydroxyethylmonium methosulfate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dioleoylethyl hydroxyethylmonium methosulfate is 155042-51-6.
The molecular formula of Dioleoylethyl hydroxyethylmonium methosulfate is C44H85NO9S.
The molecular weight of Dioleoylethyl hydroxyethylmonium methosulfate is 803.5945 g/mol.
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