2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione
TL;DR: 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione (CAS 5352-22-7) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione
Also Known As: 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione, 2-tert-butyl-4-hydroxy-5-methoxy-3(2H)-pyridazinone, 5-methoxy-2-tert-butyl-1H-pyridazine-3,4-dione, 2-tert-Butyl-5-methoxy-1,2-dihydropyridazine-3,4-dione, Cambridge id 5352227
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 0.3002 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 436.5959 |
Chemical Identifiers
| CAS Number | 5352-22-7 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C(=O)C(=CN1)OC |
Product Overview
2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione (CAS 5352-22-7), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione.
Chemical Property Profile of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione
Property Insights of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione
The XLogP value of 0.3002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione. Following Lipinski's Rule of Five, 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione?
The CAS number of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione is 5352-22-7.
What is the molecular formula of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione?
The molecular formula of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione is C9H14N2O3.
What is the molecular weight of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione?
The molecular weight of 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione is 198.10 g/mol.
Where can I buy 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione?
You can request a quote for 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5-methoxy-1H-pyridazine-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.