![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide structure](/static/products/7416/741691-52-1.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide (CAS 741691-52-1) is a chemical compound with molecular formula C22H21FN8O3S2 and molecular weight 528.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(N-(2,6-dimethylpyrimidin-4-yl)sulfamoyl)phenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
| Molecular Formula | C22H21FN8O3S2 |
|---|---|
| Molecular Weight | 528.12 g/mol |
| LogP | 2.73644 |
| Topological Polar Surface Area | 157.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.1162 |
| Heavy Atoms | 36 |
| Complexity | 1487.2977 |
Chemical Identifiers
| CAS Number | 741691-52-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)F |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide (CAS 741691-52-1), with molecular formula C22H21FN8O3S2 and molecular weight 528.12 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide
The XLogP value of 2.73644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide. The TPSA of 157.78 Ų indicates high polarity, suggesting 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide is 741691-52-1.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide is C22H21FN8O3S2.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide is 528.12 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}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-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpyr imidin-4-yl)amino]sulfonyl}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.