![4-(2,4-dimethoxyphenyl)-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/828/828280-51-9.png)
4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione (CAS 828280-51-9) is a chemical compound with molecular formula C18H19F3N6O2S and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione, 4-(2,4-dimethoxyphenyl)-5-(5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,4-dimethoxyphenyl)-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-(2,4-DIMETHOXYPHENYL)-5-[5-METHYL-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-3-YL]-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(2,4-dimethoxyphenyl)-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 | C18H19F3N6O2S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 4.11809 |
| Topological Polar Surface Area | 81.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.12424 |
| Heavy Atoms | 30 |
| Complexity | 1135.8782 |
Chemical Identifiers
| CAS Number | 828280-51-9 |
|---|---|
| SMILES | CC1CC(N2C(=C(C=N2)C3=NNC(=S)N3C4=C(C=C(C=C4)OC)OC)N1)C(F)(F)F |
Product Overview
4-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione (CAS 828280-51-9), with molecular formula C18H19F3N6O2S and molecular weight 440.12 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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 4.11809 indicates that 4-(2,4-dimethoxyphenyl)-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 81.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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 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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is 828280-51-9.
What is the molecular formula of 4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is C18H19F3N6O2S.
What is the molecular weight of 4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-3-[5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione is 440.12 g/mol.
Where can I buy 4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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.