TL;DR: 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone (CAS 155164-65-1) is a chemical compound with molecular formula C9H10Cl2N2O2 and molecular weight 248.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dichloro-2-pentanoylpyridazin-3-one
Also Known As: 4,5-dichloro-2-pentanoylpyridazin-3-one, 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone, 3(2H)-Pyridazinone, 4,5-dichloro-2-(1-oxopentyl)-, 4,5-Dichloro-2-valerylpyridazin-3(2H)-one, 2-Pentanoyl-4,5-dichloropyridazine-3(2H)-one
| Molecular Formula | C9H10Cl2N2O2 |
| Molecular Weight | 248.01193 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.01193 Da |
| Heavy Atoms | 15 |
| Complexity | 350.0 |
| SMILES | CCCCC(=O)N1C(=O)C(=C(C=N1)Cl)Cl |
| InChIKey | IRTYFKFEHWLYEZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 49.7 Ų, 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone is 155164-65-1.
The molecular formula of 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone is C9H10Cl2N2O2.
The molecular weight of 4,5-Dichloro-2-(1-oxopentyl)-3(2H)-pyridazinone is 248.01193 g/mol.
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