TL;DR: 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one (CAS 161716-26-3) is a chemical compound with molecular formula C21H10Cl2F4N2O2 and molecular weight 468.00555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one
Also Known As: 7F-328S, 6,7-dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one, 6,7-dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydrophthalazin-1-one, 6,7-dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone
| Molecular Formula | C21H10Cl2F4N2O2 |
| Molecular Weight | 468.00555 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.00555 Da |
| Heavy Atoms | 31 |
| Complexity | 691.0 |
| SMILES | C1=CC(=CC=C1C2=NN(C(=O)C3=CC(=C(C=C32)Cl)Cl)C4=CC=C(C=C4)OC(F)(F)F)F |
| InChIKey | IRUGCLIJFBYGSQ-UHFFFAOYSA-N |
The XLogP value of 7.0 indicates that 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one is 161716-26-3.
The molecular formula of 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one is C21H10Cl2F4N2O2.
The molecular weight of 6,7-Dichloro-4-(4-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one is 468.00555 g/mol.
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