TL;DR: 2,4-Bis(4-fluorophenyl)phthalazin-1-one (CAS 161716-27-4) is a chemical compound with molecular formula C20H12F2N2O and molecular weight 334.09177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-bis(4-fluorophenyl)phthalazin-1-one
Also Known As: 2,4-bis(4-fluorophenyl)phthalazin-1-one, 2,4-bis(4-fluorophenyl)-1(2H)-phthalazinone, 6F-365S, 2,4-bis(4-fluorophenyl)-1,2-dihydrophthalazin-1-one
| Molecular Formula | C20H12F2N2O |
| Molecular Weight | 334.09177 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.09177 Da |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F |
| InChIKey | WGQGONNKRRHRQK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2,4-Bis(4-fluorophenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2,4-Bis(4-fluorophenyl)phthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(4-fluorophenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Bis(4-fluorophenyl)phthalazin-1-one is 161716-27-4.
The molecular formula of 2,4-Bis(4-fluorophenyl)phthalazin-1-one is C20H12F2N2O.
The molecular weight of 2,4-Bis(4-fluorophenyl)phthalazin-1-one is 334.09177 g/mol.
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