TL;DR: 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- (CAS 133414-51-4) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methoxy-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
Also Known As: 4a,5-Dihydro-9-methoxy-2H-(1)benzopyrano(4,3-c)pyridazin-3(4H)-one, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy-, 9-methoxy-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one, 9-Methoxy-4a,5-dihydro-4H-[1]benzopyrano[4,3-c]pyridazin-3-ol, 4a,5-Dihydro-9-methoxy-2H-[1]benzopyrano[4,3-c]pyridazin-3(4H)-one
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.0848 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 59.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0848 Da |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
| SMILES | COC1=CC2=C(C=C1)OCC3C2=NNC(=O)C3 |
| InChIKey | NLBNMFYBVXXQJJ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy-. With a topological polar surface area (TPSA) of 59.9 Ų, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- is 133414-51-4.
The molecular formula of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- is C12H12N2O3.
The molecular weight of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-9-methoxy- is 232.0848 g/mol.
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