2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
TL;DR: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 862105-38-2) 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.
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 4.519 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 990.792 |
Chemical Identifiers
| CAS Number | 862105-38-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3OC |
Product Overview
2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 862105-38-2), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
Property Insights of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
The XLogP value of 4.519 indicates that 2-((5-(4-(tert-butyl)phenyl)-4-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 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)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-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The CAS number of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is 862105-38-2.
What is the molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is C22H26N4O2S.
What is the molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
The molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide is 410.18 g/mol.
Where can I buy 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
You can request a quote for 2-((5-(4-(tert-butyl)phenyl)-4-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-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-(tert-butyl)phenyl)-4-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.