![2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide structure](/static/products/5886/588684-87-1.webp)
2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
TL;DR: 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide (CAS 588684-87-1) is a chemical compound with molecular formula C24H24N8O5S and molecular weight 536.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-(5-{4-[(3,5-dimethyl-4-nitropyrazolyl)methyl]phenyl}-4-ethyl(1,2,4-triazol-3 -ylthio))-N-(3-nitrophenyl)acetamide, 2-[(5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C24H24N8O5S |
|---|---|
| Molecular Weight | 536.16 g/mol |
| LogP | 4.37384 |
| Topological Polar Surface Area | 163.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.15906 |
| Heavy Atoms | 38 |
| Complexity | 1512.7434 |
Chemical Identifiers
| CAS Number | 588684-87-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C |
Product Overview
2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide (CAS 588684-87-1), with molecular formula C24H24N8O5S and molecular weight 536.16 g/mol. IUPAC: 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Property Insights of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
The XLogP value of 4.37384 indicates that 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-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 163.91 Ų indicates high polarity, suggesting 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 9 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-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The CAS number of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is 588684-87-1.
What is the molecular formula of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is C24H24N8O5S.
What is the molecular weight of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide is 536.16 g/mol.
Where can I buy 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-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-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-4-ethyl-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.