TL;DR: 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione (CAS 1212139-21-3) is a chemical compound with molecular formula C12H18N4O4 and molecular weight 282.1328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2',2'-dimethylspiro[2,3,4a,6,7,8a-hexahydropyridazino[4,5-d]pyridazine-4,4'-oxane]-1,5,8-trione
Also Known As: 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione, 2',2'-dimethylspiro[2,3,4a,6,7,8a-hexahydropyridazino[4,5-d]pyridazine-4,4'-oxane]-1,5,8-trione, 2,2-dimethylhexahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H,4a'H,8a'H)-trione
| Molecular Formula | C12H18N4O4 |
| Molecular Weight | 282.1328 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.1328 Da |
| Heavy Atoms | 20 |
| Complexity | 492.0 |
| SMILES | CC1(CC2(CCO1)C3C(C(=O)NNC3=O)C(=O)NN2)C |
| InChIKey | UHHCYTWNOWQKGX-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione. Following Lipinski's Rule of Five, 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione has 4 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 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione is 1212139-21-3.
The molecular formula of 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione is C12H18N4O4.
The molecular weight of 2,2-dimethyloctahydro-2'H-spiro[pyran-4,1'-pyridazino[4,5-d]pyridazine]-4',5',8'(3'H)-trione is 282.1328 g/mol.
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