TL;DR: Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- (CAS 133414-49-0) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-oxo-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-9-yl)acetamide
Also Known As: N-(3,4,4a,5-Tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)acetamide, Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)-, N-(3-oxo-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-9-yl)acetamide, Acetamide,N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano[4,3-c]pyridazin-9-yl)-, Acetamide,N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)
| Molecular Formula | C13H13N3O3 |
| Molecular Weight | 259.0957 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0957 Da |
| Heavy Atoms | 19 |
| Complexity | 435.0 |
| SMILES | CC(=O)NC1=CC2=C(C=C1)OCC3C2=NNC(=O)C3 |
| InChIKey | ZFAWGPAAZREJSW-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)-. Following Lipinski's Rule of Five, Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- has 2 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 Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- is 133414-49-0.
The molecular formula of Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- is C13H13N3O3.
The molecular weight of Acetamide, N-(3,4,4a,5-tetrahydro-3-oxo-2H-(1)benzopyrano(4,3-c)pyridazin-9-yl)- is 259.0957 g/mol.
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