TL;DR: Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- (CAS 63978-33-6) is a chemical compound with molecular formula C17H21ClN4O2 and molecular weight 348.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazine
Also Known As: 1- -4- PIPERAZINE, 5-25-10-00017 (Beilstein Handbook Reference), 1-(3,4-Dimethoxybenzyl)-4-(3-(6-chloropyridazinyl))piperazine, Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)-, 1-(6-Chloro-3-pyridazinyl)-4-(3,4-dimethoxybenzyl)piperazine
| Molecular Formula | C17H21ClN4O2 |
| Molecular Weight | 348.1353 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1353 Da |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NN=C(C=C3)Cl)OC |
| InChIKey | WAPCUBGTGCJROC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)-. With a topological polar surface area (TPSA) of 50.7 Ų, Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- is 63978-33-6.
The molecular formula of Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- is C17H21ClN4O2.
The molecular weight of Piperazine, 4-(3-(6-chloropyridazinyl))-1-(3,4-dimethoxybenzyl)- is 348.1353 g/mol.
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