TL;DR: Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate (CAS 1164457-83-3) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate
Also Known As: ethyl 2-[3-(4-methoxystyryl)-6-oxo-5,6-dihydro-1(4H)-pyridazinyl]acetate, ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate
| Molecular Formula | C17H20N2O4 |
| Molecular Weight | 316.1423 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.1423 Da |
| Heavy Atoms | 23 |
| Complexity | 479.0 |
| SMILES | CCOC(=O)CN1C(=O)CCC(=N1)C=CC2=CC=C(C=C2)OC |
| InChIKey | DTNQNOCELQQYTK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate 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 Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate is 1164457-83-3.
The molecular formula of Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate is C17H20N2O4.
The molecular weight of Ethyl 2-[3-[2-(4-methoxyphenyl)ethenyl]-6-oxo-4,5-dihydropyridazin-1-yl]acetate is 316.1423 g/mol.
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