1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
TL;DR: 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one (CAS 40995-46-8) is a chemical compound with molecular formula C6H6N4O and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5H-pyrazolo[4,5-d]pyridazin-4-one
Also Known As: 1-Methyl-1H-pyrazolo[3,4-d]pyridazin-4(5H)-one, 1-methyl-5H-pyrazolo[3,4-d]pyridazin-4-one, 1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one, 1-Methyl-1H-pyrazolo[4.3-d]pyridazin-4(5H)-one, AP-786/42300028
| Molecular Formula | C6H6N4O |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | -0.3434 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.05415 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 40995-46-8 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=O)NN=C2 |
Product Overview
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one (CAS 40995-46-8), with molecular formula C6H6N4O and molecular weight 150.05 g/mol. IUPAC: 1-methyl-5H-pyrazolo[4,5-d]pyridazin-4-one.
Chemical Property Profile of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
Property Insights of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
The XLogP value of -0.3434 indicates that 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one. Following Lipinski's Rule of Five, 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one 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 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one?
The CAS number of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one is 40995-46-8.
What is the molecular formula of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one?
The molecular formula of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one is C6H6N4O.
What is the molecular weight of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one?
The molecular weight of 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one is 150.05 g/mol.
Where can I buy 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one?
You can request a quote for 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.