![Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate structure](/static/products/1987/198715-80-9.webp)
Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate
TL;DR: Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate (CAS 198715-80-9) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
Also Known As: AN-789/13333016, Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate, ethyl 4-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate, ethyl 4-thioxo-1,4-dihydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate, Ethyl 4-sulfanylidene-1,4-dihydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.96359 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 559.01215 |
Chemical Identifiers
| CAS Number | 198715-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=CNN2C1=NC=NC2=S |
Product Overview
Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate (CAS 198715-80-9), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: ethyl 4-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate.
Chemical Property Profile of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate
Property Insights of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate
The XLogP value of 0.96359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate. Following Lipinski's Rule of Five, Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate has 1 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 Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate?
The CAS number of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate is 198715-80-9.
What is the molecular formula of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate?
The molecular formula of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate is C8H8N4O2S.
What is the molecular weight of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate?
The molecular weight of Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate is 224.04 g/mol.
Where can I buy Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate?
You can request a quote for Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydro-4-thioxopyrazolo[1,5-a]-1,3,5-triazine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.