TL;DR: Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium (CAS 115066-04-1) is a chemical compound with molecular formula C16H20NO+ and molecular weight 242.1545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium
Also Known As: alpha-NETA, ?-Neta, Lopac-N-7906, Lopac0_000859, 2-(alpha-naphthoyl)ethyltrimethylammonium iodide
| Molecular Formula | C16H20NO+ |
| Molecular Weight | 242.1545 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.1545 Da |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
| SMILES | C[N+](C)(C)CCC(=O)C1=CC=CC2=CC=CC=C21 |
| InChIKey | WZJKPXZLQTXALB-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium. With a topological polar surface area (TPSA) of 17.1 Ų, Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium is 115066-04-1.
The molecular formula of Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium is C16H20NO+.
The molecular weight of Trimethyl-(3-naphthalen-1-yl-3-oxopropyl)azanium is 242.1545 g/mol.
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