2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
TL;DR: 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 896834-53-0) is a chemical compound with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Also Known As: 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide, 2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(propan-2-yl)phenyl]acetamide, 2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide, 2-{[4-(4-ethoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide, 2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-[ 2-(methylethyl)phenyl]acetamide
| Molecular Formula | C29H32N4O3S |
|---|---|
| Molecular Weight | 516.22 g/mol |
| LogP | 6.40762 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.2195 |
| Heavy Atoms | 37 |
| Complexity | 1317.9985 |
Chemical Identifiers
| CAS Number | 896834-53-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(C)C)COC4=CC=C(C=C4)C |
Product Overview
2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 896834-53-0), with molecular formula C29H32N4O3S and molecular weight 516.22 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
Property Insights of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
The XLogP value of 6.40762 indicates that 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)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-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide has 1 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-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The CAS number of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is 896834-53-0.
What is the molecular formula of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The molecular formula of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is C29H32N4O3S.
What is the molecular weight of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The molecular weight of 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is 516.22 g/mol.
Where can I buy 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
You can request a quote for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)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-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.