2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
TL;DR: 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 849034-28-2) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethyl-6-methylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide, 2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide, N-(2-ethyl-6-methylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2-ethyl-6-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(6-ethyl-2-methylphenyl)-2-[4-ethyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio )]acetamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 4.47862 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 956.70105 |
Chemical Identifiers
| CAS Number | 849034-28-2 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)COC3=CC=CC=C3)C |
Product Overview
2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 849034-28-2), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: N-(2-ethyl-6-methylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
Property Insights of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide
The XLogP value of 4.47862 indicates that 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide has 1 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-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The CAS number of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is 849034-28-2.
What is the molecular formula of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The molecular formula of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is C22H26N4O2S.
What is the molecular weight of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
The molecular weight of 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide is 410.18 g/mol.
Where can I buy 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
You can request a quote for 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)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-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethyl-6-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.