TL;DR: N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride (CAS 19845-41-1) is a chemical compound with molecular formula C22H40ClNO2 and molecular weight 385.27475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-(2-hydroxydodecyl)-(2-hydroxyethyl)-methylazanium chloride
Also Known As: N-METHYL-N-(2-HYDROXYETHYL)-N-(2-HYDROXYDODECYL)-N-BENZYL AMMONIUM CHLORIDE, Benzenemethanaminium, N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-N-methyl-, chloride (1:1), benzyl-(2-hydroxydodecyl)-(2-hydroxyethyl)-methylazanium chloride
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H40ClNO2 |
| Molecular Weight | 385.27475 g/mol |
| XLogP | 1.52 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 385.27475 Da |
| Heavy Atoms | 26 |
| Complexity | 304.0 |
| SMILES | CCCCCCCCCCC(C[N+](C)(CCO)CC1=CC=CC=C1)O.[Cl-] |
| InChIKey | VNHUKFSXXYAFRU-UHFFFAOYSA-M |
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride. With a topological polar surface area (TPSA) of 40.5 Ų, N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride is 19845-41-1.
The molecular formula of N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride is C22H40ClNO2.
The molecular weight of N-Methyl-N-(2-hydroxyethyl)-N-(2-hydroxydodecyl)-N-benzyl ammonium chloride is 385.27475 g/mol.
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