2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide (CAS 899406-53-2) is a chemical compound with molecular formula C27H27ClN4O3S and molecular weight 522.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide, N-(2,4-dimethylphenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)(1,2,4 -triazol-3-ylthio)}acetamide
| Molecular Formula | C27H27ClN4O3S |
|---|---|
| Molecular Weight | 522.15 g/mol |
| LogP | 6.24604 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.14923 |
| Heavy Atoms | 36 |
| Complexity | 1324.1106 |
Chemical Identifiers
| CAS Number | 899406-53-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C)C)COC4=CC=C(C=C4)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide (CAS 899406-53-2), with molecular formula C27H27ClN4O3S and molecular weight 522.15 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
The XLogP value of 6.24604 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)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-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 899406-53-2.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is C27H27ClN4O3S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 522.15 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)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-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.