2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (CAS 848989-39-9) is a chemical compound with molecular formula C22H22ClF3N4OS and molecular weight 482.12 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-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C22H22ClF3N4OS |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 6.1826 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.1155 |
| Heavy Atoms | 32 |
| Complexity | 1121.685 |
Chemical Identifiers
| CAS Number | 848989-39-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide (CAS 848989-39-9), with molecular formula C22H22ClF3N4OS and molecular weight 482.12 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide
The XLogP value of 6.1826 indicates that 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is 848989-39-9.
What is the molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is C22H22ClF3N4OS.
What is the molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide is 482.12 g/mol.
Where can I buy 2-((5-(4-(tert-butyl)phenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)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-chloro-5-(trifluoromethyl)phenyl)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-chloro-5-(trifluoromethyl)phenyl)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-chloro-5-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.