TL;DR: 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium (CAS 1034050-02-6) is a chemical compound with molecular formula C16H18N+ and molecular weight 224.14392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2,4-dimethylphenyl)ethenyl]-1-methylpyridin-1-ium
Also Known As: 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridinium, 2-[2-(2,4-dimethylphenyl)ethenyl]-1-methylpyridin-1-ium
| Molecular Formula | C16H18N+ |
| Molecular Weight | 224.14392 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.14392 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | CC1=CC(=C(C=C1)C=CC2=CC=CC=[N+]2C)C |
| InChIKey | QKQZYJUUBQROMS-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium is 1034050-02-6.
The molecular formula of 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium is C16H18N+.
The molecular weight of 2-[2-(2,4-Dimethylphenyl)ethenyl]-1-methylpyridin-1-ium is 224.14392 g/mol.
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