![2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide structure](/static/products/7929/792943-40-9.webp)
2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
TL;DR: 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide (CAS 792943-40-9) is a chemical compound with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
Also Known As: 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide, N-(4-ethoxyphenyl)-2-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C22H24N6O5S |
|---|---|
| Molecular Weight | 484.15 g/mol |
| LogP | 3.34242 |
| Topological Polar Surface Area | 141.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.1529 |
| Heavy Atoms | 34 |
| Complexity | 1194.9958 |
Chemical Identifiers
| CAS Number | 792943-40-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C |
Product Overview
2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide (CAS 792943-40-9), with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[4-methyl-5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Property Insights of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
The XLogP value of 3.34242 indicates that 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.28 Ų indicates high polarity, suggesting 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 8 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-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide?
The CAS number of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide is 792943-40-9.
What is the molecular formula of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide?
The molecular formula of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide is C22H24N6O5S.
What is the molecular weight of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide?
The molecular weight of 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide is 484.15 g/mol.
Where can I buy 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide?
You can request a quote for 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-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-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.