4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
TL;DR: 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 743450-78-4) is a chemical compound with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{5-[4-(tert-butyl)phenyl]-4-phenyl-1,2,4-triazol-3-ylthio}acetylamino)ben zamide, 4-(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[4-phenyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C27H27N5O2S |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 5.0615 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.18854 |
| Heavy Atoms | 35 |
| Complexity | 1325.0067 |
Chemical Identifiers
| CAS Number | 743450-78-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)N |
Product Overview
4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 743450-78-4), with molecular formula C27H27N5O2S and molecular weight 485.19 g/mol. IUPAC: 4-[[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
Property Insights of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
The XLogP value of 5.0615 indicates that 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide. Following Lipinski's Rule of Five, 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The CAS number of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 743450-78-4.
What is the molecular formula of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular formula of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is C27H27N5O2S.
What is the molecular weight of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular weight of 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 485.19 g/mol.
Where can I buy 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
You can request a quote for 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.