![2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone structure](/static/products/1005/1005582-16-0.webp)
2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
TL;DR: 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone (CAS 1005582-16-0) is a chemical compound with molecular formula C17H18F7N7O2S and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
Also Known As: 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone, 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone, 1-{[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thio]acetyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone, 2-((5-((3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-1-(4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C17H18F7N7O2S |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 3.3692 |
| Topological Polar Surface Area | 101.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.1131 |
| Heavy Atoms | 34 |
| Complexity | 1084.9558 |
Chemical Identifiers
| CAS Number | 1005582-16-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C)(C(F)(F)F)O)CN3C(=CC(=N3)C(F)F)C(F)F |
Product Overview
2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone (CAS 1005582-16-0), with molecular formula C17H18F7N7O2S and molecular weight 517.11 g/mol. IUPAC: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
Chemical Property Profile of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Property Insights of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
The XLogP value of 3.3692 indicates that 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone. Following Lipinski's Rule of Five, 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone?
The CAS number of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is 1005582-16-0.
What is the molecular formula of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone?
The molecular formula of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is C17H18F7N7O2S.
What is the molecular weight of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone?
The molecular weight of 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone is 517.11 g/mol.
Where can I buy 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone?
You can request a quote for 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-1-[4,5-dihydro-5-hydroxy-3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.