![2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide structure](/static/products/5886/588686-79-7.webp)
2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
TL;DR: 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CAS 588686-79-7) is a chemical compound with molecular formula C18H18Cl3N7O3S and molecular weight 517.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Also Known As: 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide, 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide, 2-{5-[2-(3,5-dimethyl-4-nitropyrazolyl)ethyl]-4-methyl(1,2,4-triazol-3-ylthio) }-N-(2,4,5-trichlorophenyl)acetamide
| Molecular Formula | C18H18Cl3N7O3S |
|---|---|
| Molecular Weight | 517.03 g/mol |
| LogP | 4.47034 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.02576 |
| Heavy Atoms | 32 |
| Complexity | 1195.1847 |
Chemical Identifiers
| CAS Number | 588686-79-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl)C)[N+](=O)[O-] |
Product Overview
2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CAS 588686-79-7), with molecular formula C18H18Cl3N7O3S and molecular weight 517.03 g/mol. IUPAC: 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
Chemical Property Profile of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Property Insights of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
The XLogP value of 4.47034 indicates that 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)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-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide 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-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The CAS number of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is 588686-79-7.
What is the molecular formula of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The molecular formula of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is C18H18Cl3N7O3S.
What is the molecular weight of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The molecular weight of 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is 517.03 g/mol.
Where can I buy 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
You can request a quote for 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.