TL;DR: 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium (CAS 1039140-40-3) is a chemical compound with molecular formula C18H16NO+ and molecular weight 262.1232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylnaphthalen-1-yl)-2-pyridin-1-ium-1-ylethanone
Also Known As: 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium, 1-(2-methylnaphthalen-1-yl)-2-pyridin-1-yl-ethanone, 1-(2-methylnaphthalen-1-yl)-2-pyridin-1-ium-1-ylethanone, 1-[2-(2-Methylnaphthalen-1-yl)-2-oxoethyl]pyridin-1-ium
| Molecular Formula | C18H16NO+ |
| Molecular Weight | 262.1232 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1232 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | CC1=C(C2=CC=CC=C2C=C1)C(=O)C[N+]3=CC=CC=C3 |
| InChIKey | LCRSGAHFUWIFGF-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.0 Ų, 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium 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 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium is 1039140-40-3.
The molecular formula of 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium is C18H16NO+.
The molecular weight of 1-[2-(2-Methyl-1-naphthalenyl)-2-oxoethyl]pyridinium is 262.1232 g/mol.
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