TL;DR: Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- (CAS 51037-58-2) is a chemical compound with molecular formula C19H22FN3O2 and molecular weight 343.16962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-2-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Also Known As: 5-23-03-00042 (Beilstein Handbook Reference), 4'-Fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)butyrophenone, 1-(4-Fluorophenyl)-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-1-butanone, BUTYROPHENONE, 4'-FLUORO-2-HYDROXY-4-(4-(2-PYRIDYL)-1-PIPERAZINYL)-, 1-(4-Fluorophenyl)-2-hydroxy-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H22FN3O2 |
| Molecular Weight | 343.16962 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.16962 Da |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
| SMILES | C1CN(CCN1CCC(C(=O)C2=CC=C(C=C2)F)O)C3=CC=CC=N3 |
| InChIKey | NZZWBFNPUPCSLD-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-. With a topological polar surface area (TPSA) of 56.7 Ų, Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- is 51037-58-2.
The molecular formula of Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- is C19H22FN3O2.
The molecular weight of Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)- is 343.16962 g/mol.
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