![2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide structure](/static/products/5886/588672-84-8.webp)
2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
TL;DR: 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide (CAS 588672-84-8) is a chemical compound with molecular formula C18H20N8O5S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide, 2-{4-ethyl-5-[2-(5-methyl-3-nitropyrazolyl)ethyl](1,2,4-triazol-3-ylthio)}-N-( 4-nitrophenyl)acetamide
| Molecular Formula | C18H20N8O5S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 2.59282 |
| Topological Polar Surface Area | 163.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.12775 |
| Heavy Atoms | 32 |
| Complexity | 1140.9491 |
Chemical Identifiers
| CAS Number | 588672-84-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CCN3C(=CC(=N3)[N+](=O)[O-])C |
Product Overview
2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide (CAS 588672-84-8), with molecular formula C18H20N8O5S and molecular weight 460.13 g/mol. IUPAC: 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Property Insights of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
The XLogP value of 2.59282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide. The TPSA of 163.91 Ų indicates high polarity, suggesting 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 9 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-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide?
The CAS number of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide is 588672-84-8.
What is the molecular formula of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide is C18H20N8O5S.
What is the molecular weight of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide is 460.13 g/mol.
Where can I buy 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-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-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.