TL;DR: Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- (CAS 133338-40-6) is a chemical compound with molecular formula C18H23N2+ and molecular weight 267.18613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
Also Known As: Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl-, N,N-diethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline, N,N-diethyl-4-[2-(1-methylpyridin-4-yl)ethenyl]aniline, Pyridinium,4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl, 4-{2-[4-(Diethylamino)phenyl]ethen-1-yl}-1-methylpyridin-1-ium
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H23N2+ |
| Molecular Weight | 267.18613 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.18613 Da |
| Heavy Atoms | 20 |
| Complexity | 280.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C |
| InChIKey | YCCVVPMYSGPISC-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.1 Ų, Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- 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 Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- is 133338-40-6.
The molecular formula of Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- is C18H23N2+.
The molecular weight of Pyridinium, 4-[2-[4-(diethylamino)phenyl]ethenyl]-1-methyl- is 267.18613 g/mol.
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