TL;DR: 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)- (CAS 146824-80-8) is a chemical compound with molecular formula C14H14F3N3O2 and molecular weight 313.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
Also Known As: 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-, 3-(2-Aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-4(1H)-pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one, m-Trifluoromethyl phenyl-1 dihydro-1,4 beta amino ethoxy-3 oxo-4 methyl-6 pyridazine [French], m-Trifluoromethyl phenyl-1 dihydro-1,4 beta amino ethoxy-3 oxo-4 methyl-6 pyridazine
| Molecular Formula | C14H14F3N3O2 |
| Molecular Weight | 313.10382 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.10382 Da |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
| SMILES | CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN |
| InChIKey | WTINKPRHAWGIIC-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)-. Following Lipinski's Rule of Five, 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)- is 146824-80-8.
The molecular formula of 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)- is C14H14F3N3O2.
The molecular weight of 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-(3-(trifluoromethyl)phenyl)- is 313.10382 g/mol.
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