![N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide structure](/static/products/956/956614-06-5.png)
N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
TL;DR: N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide (CAS 956614-06-5) is a chemical compound with molecular formula C15H15FN4O3S and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Also Known As: N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, AO-022/43455052, A4017/0171331, N-(4-fluorophenyl)-1-mercapto-4,4-dimethyl-3,8-dioxo-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide, N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
| Molecular Formula | C15H15FN4O3S |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 0.7754 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.0849 |
| Heavy Atoms | 24 |
| Complexity | 749.591 |
Chemical Identifiers
| CAS Number | 956614-06-5 |
|---|---|
| SMILES | CC1(C(=O)NC(=S)N2N1C(CC2=O)C(=O)NC3=CC=C(C=C3)F)C |
Product Overview
N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide (CAS 956614-06-5), with molecular formula C15H15FN4O3S and molecular weight 350.08 g/mol. IUPAC: N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidene-6,7-dihydropyrazolo[1,2-a][1,2,4]triazine-6-carboxamide.
Chemical Property Profile of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Property Insights of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
The XLogP value of 0.7754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-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 5 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 N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The CAS number of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is 956614-06-5.
What is the molecular formula of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The molecular formula of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is C15H15FN4O3S.
What is the molecular weight of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
The molecular weight of N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide is 350.08 g/mol.
Where can I buy N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanyl-3,4,7,8-tetrahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide?
You can request a quote for N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-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 N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-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 N-(4-fluorophenyl)-4,4-dimethyl-3,8-dioxo-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.