TL;DR: Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide (CAS 110816-53-0) is a chemical compound with molecular formula C21H22INO2 and molecular weight 447.06952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide
Also Known As: 2-(2-(2,4-Dimethoxyphenyl)ethenyl)-1-ethylquinolinium iodide, Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide, (E)-2-(2,4-dimethoxystyryl)-1-ethylquinolin-1-ium iodide, 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium;iodide, 2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1-ethylquinolin-1-ium iodide
| Molecular Formula | C21H22INO2 |
| Molecular Weight | 447.06952 g/mol |
| XLogP | 1.3388 |
| Topological Polar Surface Area (TPSA) | 22.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.06952 Da |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=C(C=C(C=C3)OC)OC.[I-] |
| InChIKey | MKEGNALXTHYKJO-RSGUCCNWSA-M |
The XLogP value of 1.3388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide. With a topological polar surface area (TPSA) of 22.3 Ų, Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide has 0 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 Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide is 110816-53-0.
The molecular formula of Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide is C21H22INO2.
The molecular weight of Quinolinium, 2-(2-(2,4-dimethoxyphenyl)ethenyl)-1-ethyl-, iodide is 447.06952 g/mol.
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