![2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide structure](/static/products/5886/588687-75-6.webp)
2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
TL;DR: 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide (CAS 588687-75-6) is a chemical compound with molecular formula C17H16F3N7O3S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide, 2-{4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl](1,2,4-triazol-3-ylthio )}-N-(3-nitrophenyl)acetamide
| Molecular Formula | C17H16F3N7O3S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 3.3563 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.09875 |
| Heavy Atoms | 31 |
| Complexity | 1126.616 |
Chemical Identifiers
| CAS Number | 588687-75-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=NN(C(=C3)C(F)(F)F)C |
Product Overview
2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide (CAS 588687-75-6), with molecular formula C17H16F3N7O3S and molecular weight 455.10 g/mol. IUPAC: 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Property Insights of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
The XLogP value of 3.3563 indicates that 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The CAS number of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is 588687-75-6.
What is the molecular formula of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is C17H16F3N7O3S.
What is the molecular weight of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is 455.10 g/mol.
Where can I buy 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.