TL;DR: 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- (CAS 117613-81-7) is a chemical compound with molecular formula C18H24ClN3O4 and molecular weight 381.14554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-ethoxy-1H-pyridazin-6-one
Also Known As: 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy-, 4-Chloro-5-(3-n-butoxy-4-methoxybenzylamino)-6-ethoxy-3(2H)-pyridazinone, 5-(((3-Butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy-3(2H)-pyridazinone, 4-chloro-5-(3-n-butoxy-4-methoxybenzylamino)-6-ethoxy-3(2H)pyridazinone, 4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-ethoxy-1H-pyridazin-6-one
| Molecular Formula | C18H24ClN3O4 |
| Molecular Weight | 381.14554 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 81.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 381.14554 Da |
| Heavy Atoms | 26 |
| Complexity | 539.0 |
| SMILES | CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC)Cl)OC |
| InChIKey | GCRLEWGSFMYVOZ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy-. Following Lipinski's Rule of Five, 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- has 2 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 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- is 117613-81-7.
The molecular formula of 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- is C18H24ClN3O4.
The molecular weight of 3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy- is 381.14554 g/mol.
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