TL;DR: 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one (CAS 161716-25-2) is a chemical compound with molecular formula C20H10Cl3FN2O and molecular weight 417.98428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one
Also Known As: 7F-327S, 6,7-dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one, 6,7-dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)-1,2-dihydrophthalazin-1-one, 6,7-dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)-1(2H)-phthalazinone
| Molecular Formula | C20H10Cl3FN2O |
| Molecular Weight | 417.98428 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.98428 Da |
| Heavy Atoms | 27 |
| Complexity | 588.0 |
| SMILES | C1=CC(=CC=C1C2=NN(C(=O)C3=CC(=C(C=C32)Cl)Cl)C4=CC=C(C=C4)Cl)F |
| InChIKey | RUINMEWPSBFPEX-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 6,7-Dichloro-2-(4-chlorophenyl)-4-(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, 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one is 161716-25-2.
The molecular formula of 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one is C20H10Cl3FN2O.
The molecular weight of 6,7-Dichloro-2-(4-chlorophenyl)-4-(4-fluorophenyl)phthalazin-1-one is 417.98428 g/mol.
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