2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
TL;DR: 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 861111-85-5) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide, 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-{[4-ethyl-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide, 2-{4-ethyl-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-(2-methoxyph enyl)acetamide
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.92482 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 956.815 |
Chemical Identifiers
| CAS Number | 861111-85-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)COC3=CC=C(C=C3)C |
Product Overview
2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 861111-85-5), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
Property Insights of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
The XLogP value of 3.92482 indicates that 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide has 1 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-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The CAS number of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is 861111-85-5.
What is the molecular formula of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The molecular formula of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is C21H24N4O3S.
What is the molecular weight of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The molecular weight of 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is 412.16 g/mol.
Where can I buy 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
You can request a quote for 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)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-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.