![4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide structure](/static/products/956/956263-34-6.png)
4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
TL;DR: 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide (CAS 956263-34-6) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Also Known As: 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, (4,4-dimethyl-3,8-dioxo-1-sulfanylpyrazolidino[1,2-a]1,2,4-triazin-6-yl)-N-(4- phenoxyphenyl)carboxamide, 1-mercapto-4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, 1-mercapto-4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 2.4286 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1023.0617 |
Chemical Identifiers
| CAS Number | 956263-34-6 |
|---|---|
| SMILES | CC1(C(=O)NC(=S)N2N1C(CC2=O)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C |
Product Overview
4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide (CAS 956263-34-6), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide.
Chemical Property Profile of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Property Insights of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
The XLogP value of 2.4286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide. Following Lipinski's Rule of Five, 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide has 2 hydrogen bond donor(s) and 6 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 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The CAS number of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is 956263-34-6.
What is the molecular formula of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The molecular formula of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is C21H20N4O4S.
What is the molecular weight of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The molecular weight of 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is 424.12 g/mol.
Where can I buy 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
You can request a quote for 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-3,8-dioxo-N-(4-phenoxyphenyl)-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.