![4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione structure](/static/products/828/828281-72-7.png)
4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione (CAS 828281-72-7) is a chemical compound with molecular formula C18H19F3N6OS and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione, 4-(2-ethoxyphenyl)-5-(5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(2-ethoxyphenyl)-5-[5-methyl-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a] 1,3-diazaperhydroin-3-yl)]-1,2,4-triazole-3-thiol, 4-(2-ETHOXYPHENYL)-5-[5-METHYL-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-3-YL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(2-ethoxyphenyl)-5-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H19F3N6OS |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 4.49959 |
| Topological Polar Surface Area | 72.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1293 |
| Heavy Atoms | 29 |
| Complexity | 1085.9448 |
Chemical Identifiers
| CAS Number | 828281-72-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=NNC2=S)C3=C4NC(CC(N4N=C3)C(F)(F)F)C |
Product Overview
4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione (CAS 828281-72-7), with molecular formula C18H19F3N6OS and molecular weight 424.13 g/mol. IUPAC: 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.49959 indicates that 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione 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 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is 828281-72-7.
What is the molecular formula of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is C18H19F3N6OS.
What is the molecular weight of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is 424.13 g/mol.
Where can I buy 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-ethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.