2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
TL;DR: 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 861139-72-2) is a chemical compound with molecular formula C22H25ClN4OS and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
Also Known As: 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide, 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide, N-(4-chlorophenyl)-2-[[4-ethyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H25ClN4OS |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 5.6467 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.14377 |
| Heavy Atoms | 29 |
| Complexity | 975.542 |
Chemical Identifiers
| CAS Number | 861139-72-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 861139-72-2), with molecular formula C22H25ClN4OS and molecular weight 428.14 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
Property Insights of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
The XLogP value of 5.6467 indicates that 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)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-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)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-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The CAS number of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 861139-72-2.
What is the molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular formula of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is C22H25ClN4OS.
What is the molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular weight of 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 428.14 g/mol.
Where can I buy 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
You can request a quote for 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)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-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.