TL;DR: (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate (CAS 124420-28-6) is a chemical compound with molecular formula C10H11Cl3N2O2 and molecular weight 295.98862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] 2-chloroacetate
Also Known As: (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate, [2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] 2-chloroacetate, 2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl chloroacetate, [2-(3,6-dichloropyridazin-4-yl)-2-methyl-propyl] 2-chloroacetate
| Molecular Formula | C10H11Cl3N2O2 |
| Molecular Weight | 295.98862 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.98862 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | CC(C)(COC(=O)CCl)C1=CC(=NN=C1Cl)Cl |
| InChIKey | CQQOAFYDTVQMHZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate is 124420-28-6.
The molecular formula of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate is C10H11Cl3N2O2.
The molecular weight of (2-(3,6-Dichloropyridazin-4-yl)-2-methylpropyl) 2-chloroacetate is 295.98862 g/mol.
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