![2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide structure](/static/products/861/861651-57-2.png)
2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
TL;DR: 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 861651-57-2) is a chemical compound with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide, N-(4-acetamidophenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[4-(acetylamino)phenyl]-2-{5-[(4-chlorophenoxy)methyl]-4-ethyl(1,2,4-triazol -3-ylthio)}acetamide
| Molecular Formula | C21H22ClN5O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 4.2196 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1132 |
| Heavy Atoms | 31 |
| Complexity | 1038.1737 |
Chemical Identifiers
| CAS Number | 861651-57-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)COC3=CC=C(C=C3)Cl |
Product Overview
2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 861651-57-2), with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
Property Insights of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
The XLogP value of 4.2196 indicates that 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-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-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide has 2 hydrogen bond donor(s) and 6 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-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The CAS number of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 861651-57-2.
What is the molecular formula of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular formula of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is C21H22ClN5O3S.
What is the molecular weight of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular weight of 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 459.11 g/mol.
Where can I buy 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
You can request a quote for 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-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-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-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.