TL;DR: Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- (CAS 108287-94-1) is a chemical compound with molecular formula C10H15ClN2 and molecular weight 198.09238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-chloro-2-methylpropan-2-yl)-3,6-dimethylpyridazine
Also Known As: Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl-, 4-(1-chloro-2-methylpropan-2-yl)-3,6-dimethylpyridazine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H15ClN2 |
| Molecular Weight | 198.09238 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.09238 Da |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
| SMILES | CC1=CC(=C(N=N1)C)C(C)(C)CCl |
| InChIKey | WQFNLYVYAHTGCZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl-. With a topological polar surface area (TPSA) of 25.8 Ų, Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- 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, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- is 108287-94-1.
The molecular formula of Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- is C10H15ClN2.
The molecular weight of Pyridazine, 4-(2-chloro-1,1-dimethylethyl)-3,6-dimethyl- is 198.09238 g/mol.
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