TL;DR: 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium (CAS 154440-77-4) is a chemical compound with molecular formula C21H20ClFNO+ and molecular weight 356.12173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-ol
Also Known As: RHPP+ ion, RHPP+ ion Chloride, 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium, 4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-ol, 4-[4-(4-Chlorophenyl)pyridinio]-1-(4-fluorophenyl)-1-butanol
| Molecular Formula | C21H20ClFNO+ |
| Molecular Weight | 356.12173 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.12173 Da |
| Heavy Atoms | 25 |
| Complexity | 372.0 |
| SMILES | C1=CC(=CC=C1C2=CC=[N+](C=C2)CCCC(C3=CC=C(C=C3)F)O)Cl |
| InChIKey | CESYFZMRVQIRNB-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium is 154440-77-4.
The molecular formula of 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium is C21H20ClFNO+.
The molecular weight of 4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-hydroxybutyl)pyridinium is 356.12173 g/mol.
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