6-(7-theophylline)-3(2H)-pyridazinone
TL;DR: 6-(7-theophylline)-3(2H)-pyridazinone (CAS 139026-57-6) is a chemical compound with molecular formula C11H10N6O3 and molecular weight 274.08145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-7-(6-oxo-1H-pyridazin-3-yl)purine-2,6-dione
Also Known As: 6-(7-Theophylline)-3(2H)-pyridazinone, 1,3-dimethyl-7-(6-oxo-1H-pyridazin-3-yl)purine-2,6-dione, 1,3-dimethyl-7-(6-oxo-1,6-dihydropyridazin-3-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-Dimethyl-7-(6-oxo-1,6-dihydropyridazin-3-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-[(1,6-Dihydro-6-oxopyridazin)-3-yl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
Technical Specifications
| Molecular Formula | C11H10N6O3 |
| Molecular Weight | 274.08145 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.08145 Da |
| Heavy Atoms | 20 |
| Complexity | 556.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3=NNC(=O)C=C3 |
| InChIKey | YSRWOOQKWUCFIP-UHFFFAOYSA-N |
Chemical Property Profile of 6-(7-theophylline)-3(2H)-pyridazinone
Property Insights of 6-(7-theophylline)-3(2H)-pyridazinone
The XLogP value of -0.6 indicates that 6-(7-theophylline)-3(2H)-pyridazinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(7-theophylline)-3(2H)-pyridazinone. Following Lipinski's Rule of Five, 6-(7-theophylline)-3(2H)-pyridazinone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(7-theophylline)-3(2H)-pyridazinone?
The CAS number of 6-(7-theophylline)-3(2H)-pyridazinone is 139026-57-6.
What is the molecular formula of 6-(7-theophylline)-3(2H)-pyridazinone?
The molecular formula of 6-(7-theophylline)-3(2H)-pyridazinone is C11H10N6O3.
What is the molecular weight of 6-(7-theophylline)-3(2H)-pyridazinone?
The molecular weight of 6-(7-theophylline)-3(2H)-pyridazinone is 274.08145 g/mol.
Where can I buy 6-(7-theophylline)-3(2H)-pyridazinone?
You can request a quote for 6-(7-theophylline)-3(2H)-pyridazinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(7-theophylline)-3(2H)-pyridazinone?
Yes, CoreyChem provides custom synthesis services for 6-(7-theophylline)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.