![2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide structure](/static/products/7012/701280-57-1.webp)
2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
TL;DR: 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CAS 701280-57-1) is a chemical compound with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide
Also Known As: 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide, 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)thio]-N-(2-phenylethyl)acetamide, 2-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide, 2-[4-ethyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C23H27N5O2S |
|---|---|
| Molecular Weight | 437.19 g/mol |
| LogP | 3.23862 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.18854 |
| Heavy Atoms | 31 |
| Complexity | 1002.5661 |
Chemical Identifiers
| CAS Number | 701280-57-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C |
Product Overview
2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide (CAS 701280-57-1), with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol. IUPAC: 2-[4-ethyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Property Insights of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
The XLogP value of 3.23862 indicates that 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide has 2 hydrogen bond donor(s) and 5 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-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The CAS number of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is 701280-57-1.
What is the molecular formula of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The molecular formula of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is C23H27N5O2S.
What is the molecular weight of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
The molecular weight of 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide is 437.19 g/mol.
Where can I buy 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
You can request a quote for 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)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-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethyl-5-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.