TL;DR: Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- (CAS 124437-50-9) is a chemical compound with molecular formula C18H20ClN3O2 and molecular weight 345.1244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzaldehyde
Also Known As: Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]-, 4-(2-(1-(6-Chloropyridazin-3-yl)piperidin-4-yl)ethoxy)benzaldehyde, 4-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]benzaldehyde, 4-[2-[1-(6-chloropyridazin-3-yl)-4-piperidyl]ethoxy]benzaldehyde, 4-{2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy}benzaldehyde
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H20ClN3O2 |
| Molecular Weight | 345.1244 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.1244 Da |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
| SMILES | C1CN(CCC1CCOC2=CC=C(C=C2)C=O)C3=NN=C(C=C3)Cl |
| InChIKey | ZLKXCFJTGDNRLO-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- is 124437-50-9.
The molecular formula of Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- is C18H20ClN3O2.
The molecular weight of Benzaldehyde, 4-[2-[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]ethoxy]- is 345.1244 g/mol.
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