![4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/958/958940-22-2.png)
4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 958940-22-2) is a chemical compound with molecular formula C15H14F3N5OS and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyphenyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide, 4-(3-methoxyphenyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4- -5-[[5-methyl-3- -1H-pyrazol-1-yl]methyl]-, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(3-methoxyphenyl)-5-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-, 4-(3-METHOXYPHENYL)-5-{[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL}-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C15H14F3N5OS |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 3.51051 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.08713 |
| Heavy Atoms | 25 |
| Complexity | 956.7204 |
Chemical Identifiers
| CAS Number | 958940-22-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC2=NNC(=S)N2C3=CC(=CC=C3)OC)C(F)(F)F |
Product Overview
4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 958940-22-2), with molecular formula C15H14F3N5OS and molecular weight 369.09 g/mol. IUPAC: 4-(3-methoxyphenyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 3.51051 indicates that 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide. Following Lipinski's Rule of Five, 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide has 1 hydrogen bond donor(s) and 4 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-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide is 958940-22-2.
What is the molecular formula of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide is C15H14F3N5OS.
What is the molecular weight of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide is 369.09 g/mol.
Where can I buy 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-methoxyphenyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.