![7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one structure](/static/products/4053/40535-03-3.webp)
7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
TL;DR: 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CAS 40535-03-3) is a chemical compound with molecular formula C6H6N4OS and molecular weight 182.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Also Known As: BAS 10113329, 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one, 2-mercapto-8-methylpyrazolo[1,5-d][1,2,4]triazinone, 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]-triazin-4-one, VU0607304-1
| Molecular Formula | C6H6N4OS |
|---|---|
| Molecular Weight | 182.03 g/mol |
| LogP | 0.38861 |
| Topological Polar Surface Area | 65.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.02623 |
| Heavy Atoms | 12 |
| Complexity | 487.20703 |
Chemical Identifiers
| CAS Number | 40535-03-3 |
|---|---|
| SMILES | CC1=NN2C(=C1)C(=O)NNC2=S |
Product Overview
7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CAS 40535-03-3), with molecular formula C6H6N4OS and molecular weight 182.03 g/mol. IUPAC: 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one.
Chemical Property Profile of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Property Insights of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
The XLogP value of 0.38861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one. The TPSA of 65.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one. Following Lipinski's Rule of Five, 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has 2 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 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The CAS number of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is 40535-03-3.
What is the molecular formula of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The molecular formula of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is C6H6N4OS.
What is the molecular weight of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The molecular weight of 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is 182.03 g/mol.
Where can I buy 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
You can request a quote for 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.