TL;DR: Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy- (CAS 51037-48-0) is a chemical compound with molecular formula C21H23ClFNO3 and molecular weight 391.13504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-2-hydroxybutan-1-one
Also Known As: 4-(4-(p-Chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxybutyrophenone, 1-(4-Fluorophenyl)-2-hydroxy-4-(4-hydroxy-4-(4-chlorophenyl)-1-piperidyl)-1-butanone, BUTYROPHENONE, 4-(4-(p-CHLOROPHENYL)-4-HYDROXYPIPERIDINO)-4'-FLUORO-2-HYDROXY-, 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-2-hydroxybutan-1-one, gamma-[4-(p-Chlorophenyl)-4-hydroxypiperidino]-4 -fluoro-alpha-hydroxybutyrophenone
| Molecular Formula | C21H23ClFNO3 |
| Molecular Weight | 391.13504 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13504 Da |
| Heavy Atoms | 27 |
| Complexity | 482.0 |
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C(=O)C3=CC=C(C=C3)F)O |
| InChIKey | RODWINBWUKUGNT-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy-. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy-. Following Lipinski's Rule of Five, Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy- is 51037-48-0.
The molecular formula of Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy- is C21H23ClFNO3.
The molecular weight of Butyrophenone, 4-(4-(p-chlorophenyl)-4-hydroxypiperidino)-4'-fluoro-2-hydroxy- is 391.13504 g/mol.
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