![2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide structure](/static/products/861/861627-87-4.png)
2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
TL;DR: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 861627-87-4) is a chemical compound with molecular formula C26H24ClN5O3S and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide, N-(4-acetamidophenyl)-2-((5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)(1,2,4-triaz ol-3-ylthio)]acetamide, N-[4-(acetylamino)phenyl]-2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C26H24ClN5O3S |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 5.6756 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.12885 |
| Heavy Atoms | 36 |
| Complexity | 1357.0197 |
Chemical Identifiers
| CAS Number | 861627-87-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4Cl |
Product Overview
2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 861627-87-4), with molecular formula C26H24ClN5O3S and molecular weight 521.13 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
Property Insights of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
The XLogP value of 5.6756 indicates that 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide has 2 hydrogen bond donor(s) and 6 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-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The CAS number of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 861627-87-4.
What is the molecular formula of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular formula of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is C26H24ClN5O3S.
What is the molecular weight of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular weight of 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 521.13 g/mol.
Where can I buy 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
You can request a quote for 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)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-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.