![1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione structure](/static/products/409/40995-55-9.png)
1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione
TL;DR: 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione (CAS 40995-55-9) is a chemical compound with molecular formula C6H6N4S and molecular weight 166.03 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]pyridazine-4-thione
Also Known As: 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione, 1-methyl-5H-pyrazolo[3,4-d]pyridazine-4-thione, 1-Methyl-1H-pyrazolo[3,4-d]pyridazine-4-thiol, AP-786/42300049, 1-methyl-5-hydropyrazolo[4,5-d]pyridazine-4-thione
| Molecular Formula | C6H6N4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.02589 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.03131 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 40995-55-9 |
|---|---|
| SMILES | CN1C2=C(C=N1)C(=S)NN=C2 |
Product Overview
1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione (CAS 40995-55-9), with molecular formula C6H6N4S and molecular weight 166.03 g/mol. IUPAC: 1-methyl-5H-pyrazolo[4,5-d]pyridazine-4-thione.
Chemical Property Profile of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione
Property Insights of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione
The XLogP value of 1.02589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione. With a topological polar surface area (TPSA) of 46.5 Ų, 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione 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-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione?
The CAS number of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione is 40995-55-9.
What is the molecular formula of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione?
The molecular formula of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione is C6H6N4S.
What is the molecular weight of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione?
The molecular weight of 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione is 166.03 g/mol.
Where can I buy 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione?
You can request a quote for 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.