TL;DR: 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- (CAS 146824-83-1) is a chemical compound with molecular formula C18H13F3N2O2 and molecular weight 346.09293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Also Known As: 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-, 3-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one, 3-(Phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinone, 4(1H)-Pyridazinone,3-(phenylmethoxy)-1-[3-(trifluoromethyl)phenyl]-, 3-(Benzyloxy)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
| Molecular Formula | C18H13F3N2O2 |
| Molecular Weight | 346.09293 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.09293 Da |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
| SMILES | C1=CC=C(C=C1)COC2=NN(C=CC2=O)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | AVMFZGAPUSUDOR-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- is 146824-83-1.
The molecular formula of 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- is C18H13F3N2O2.
The molecular weight of 4(1H)-Pyridazinone, 3-(phenylmethoxy)-1-(3-(trifluoromethyl)phenyl)- is 346.09293 g/mol.
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