TL;DR: Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- (CAS 133740-16-6) is a chemical compound with molecular formula C9H12Cl2N2 and molecular weight 218.03775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dichloro-4-(2-methylbutan-2-yl)pyridazine
Also Known As: ebenifoline E-II, Aurora-A Inhibitor I, 3,6-dichloro-4-(2-methylbutan-2-yl)pyridazine, Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-, Pyridazine,3,6-dichloro-4-(1,1-dimethylpropyl)-
| Molecular Formula | C9H12Cl2N2 |
| Molecular Weight | 218.03775 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.03775 Da |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
| SMILES | CCC(C)(C)C1=CC(=NN=C1Cl)Cl |
| InChIKey | MSMPBVJTMBQVRQ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- is 133740-16-6.
The molecular formula of Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- is C9H12Cl2N2.
The molecular weight of Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)- is 218.03775 g/mol.
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