TL;DR: Laurimin (CAS 52513-11-8) is a chemical compound with molecular formula C24H43ClN2O and molecular weight 410.3064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[3-(dodecanoylamino)propyl]-dimethylazanium chloride
Also Known As: Laurimin, (+/-)-1-(2-Naphthyl)ethanol, 4939AE, (3-Dodecaneamidopropyl)dimethylbenzylammonium chloride, N-Benzyl-N,N-dimethyl-3-(lauroylamino)-propan-1-aminium chloride
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H43ClN2O |
| Molecular Weight | 410.3064 g/mol |
| XLogP | 2.69 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 410.3064 Da |
| Heavy Atoms | 28 |
| Complexity | 361.0 |
| SMILES | CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | JOMDPISNBYPGIK-UHFFFAOYSA-N |
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Laurimin. With a topological polar surface area (TPSA) of 29.1 Ų, Laurimin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Laurimin has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Laurimin is 52513-11-8.
The molecular formula of Laurimin is C24H43ClN2O.
The molecular weight of Laurimin is 410.3064 g/mol.
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