TL;DR: 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy- (CAS 133414-53-6) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,9-dimethoxy-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
Also Known As: 4a,5-Dihydro-8,9-dimethoxy-2H-(1)benzopyrano(4,3-c)pyridazin-3(4H)-one, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy-, 8,9-dimethoxy-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one, 8,9-Dimethoxy-4a,5-dihydro-4H-[1]benzopyrano[4,3-c]pyridazin-3-ol, BRN 4265053
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.09537 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09537 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | COC1=C(C=C2C(=C1)C3=NNC(=O)CC3CO2)OC |
| InChIKey | SNROGWQVPMDSEU-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy-. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy-. Following Lipinski's Rule of Five, 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy- has 1 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 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy- is 133414-53-6.
The molecular formula of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy- is C13H14N2O4.
The molecular weight of 2H-(1)Benzopyrano(4,3-c)pyridazin-3(4H)-one, 4a,5-dihydro-8,9-dimethoxy- is 262.09537 g/mol.
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