![N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/861/861138-91-2.png)
N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861138-91-2) is a chemical compound with molecular formula C26H24Cl2N4OS and molecular weight 510.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-(tert-butyl)phenyl)-2-((5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[2-(tert-butyl)phenyl]-2-[4-(4-chlorophenyl)-5-(2-chlorophenyl)(1,2,4-triazo l-3-ylthio)]acetamide
| Molecular Formula | C26H24Cl2N4OS |
|---|---|
| Molecular Weight | 510.10 g/mol |
| LogP | 7.2694 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.1048 |
| Heavy Atoms | 34 |
| Complexity | 1313.1327 |
Chemical Identifiers
| CAS Number | 861138-91-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl |
Product Overview
N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861138-91-2), with molecular formula C26H24Cl2N4OS and molecular weight 510.10 g/mol. IUPAC: N-(2-tert-butylphenyl)-2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 7.2694 indicates that N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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, N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 861138-91-2.
What is the molecular formula of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C26H24Cl2N4OS.
What is the molecular weight of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 510.10 g/mol.
Where can I buy N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-tert-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.