TL;DR: 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone (CAS 110766-31-9) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-acetamidophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]methyl propanoate
Also Known As: 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone, N-(4-(1,4,5,6-Tetrahydro-6-oxo-4-((1-oxopropoxy)methyl)-3-pyridazinyl)phenyl)acetamide, Acetamide, N-(4-(1,4,5,6-tetrahydro-6-oxo-4-((1-oxopropoxy)methyl)-3-pyridazinyl)phenyl)-, [3-(4-acetamidophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]methyl propanoate, N-(4-{6-Hydroxy-4-[(propanoyloxy)methyl]-4,5-dihydropyridazin-3-yl}phenyl)ethanimidic acid
| Molecular Formula | C16H19N3O4 |
| Molecular Weight | 317.13754 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.13754 Da |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
| SMILES | CCC(=O)OCC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C |
| InChIKey | GSHMGVMCMNYNIH-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone is 110766-31-9.
The molecular formula of 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone is C16H19N3O4.
The molecular weight of 6-(4-Acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2H)-pyridazinone is 317.13754 g/mol.
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