![2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide structure](/static/products/7012/701286-72-8.webp)
2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
TL;DR: 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide (CAS 701286-72-8) is a chemical compound with molecular formula C21H20Cl2N6O4S and molecular weight 522.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
Also Known As: 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide, N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C21H20Cl2N6O4S |
|---|---|
| Molecular Weight | 522.06 g/mol |
| LogP | 4.73342 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.0644 |
| Heavy Atoms | 34 |
| Complexity | 1249.9967 |
Chemical Identifiers
| CAS Number | 701286-72-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)CC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide (CAS 701286-72-8), with molecular formula C21H20Cl2N6O4S and molecular weight 522.06 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
Property Insights of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide
The XLogP value of 4.73342 indicates that 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide has 2 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-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide?
The CAS number of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide is 701286-72-8.
What is the molecular formula of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide?
The molecular formula of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide is C21H20Cl2N6O4S.
What is the molecular weight of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide?
The molecular weight of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide is 522.06 g/mol.
Where can I buy 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide?
You can request a quote for 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-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-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.