3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one
TL;DR: 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one (CAS 124420-44-6) is a chemical compound with molecular formula C8H10Cl2N2O and molecular weight 220.01701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one
Also Known As: 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one, 6-chloro-5-(1-chloro-2-methyl-propan-2-yl)-2H-pyridazin-3-one, 6-Chloro-5-(1-chloro-2-methylpropan-2-yl)pyridazin-3(2H)-one
Technical Specifications
| Molecular Formula | C8H10Cl2N2O |
| Molecular Weight | 220.01701 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.01701 Da |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
| SMILES | CC(C)(CCl)C1=CC(=O)NN=C1Cl |
| InChIKey | HBQBURQMDJBOPQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one
Property Insights of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one?
The CAS number of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one is 124420-44-6.
What is the molecular formula of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one?
The molecular formula of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one is C8H10Cl2N2O.
What is the molecular weight of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one?
The molecular weight of 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one is 220.01701 g/mol.
Where can I buy 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one?
You can request a quote for 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one?
Yes, CoreyChem provides custom synthesis services for 3-chloro-4-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.