![2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide structure](/static/products/5779/577996-00-0.webp)
2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
TL;DR: 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide (CAS 577996-00-0) is a chemical compound with molecular formula C23H24N8O4S2 and molecular weight 540.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Also Known As: 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide, 2-((4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(N-(2,6-dimethylpyrimidin-4-yl)sulfamoyl)phenyl)acetamide, 2-[[4-amino-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide, 2-[4-amino-5-(3-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-{[(2,6-dimethylpy rimidin-4-yl)amino]sulfonyl}phenyl)acetamide
| Molecular Formula | C23H24N8O4S2 |
|---|---|
| Molecular Weight | 540.14 g/mol |
| LogP | 2.60594 |
| Topological Polar Surface Area | 167.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.13617 |
| Heavy Atoms | 37 |
| Complexity | 1518.5989 |
Chemical Identifiers
| CAS Number | 577996-00-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC(=CC=C4)OC |
Product Overview
2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide (CAS 577996-00-0), with molecular formula C23H24N8O4S2 and molecular weight 540.14 g/mol. IUPAC: 2-[[4-amino-5-(3-methoxyphenyl)-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-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
Property Insights of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
The XLogP value of 2.60594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide. The TPSA of 167.01 Ų indicates high polarity, suggesting 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide has 3 hydrogen bond donor(s) and 10 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-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide?
The CAS number of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide is 577996-00-0.
What is the molecular formula of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide?
The molecular formula of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide is C23H24N8O4S2.
What is the molecular weight of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide?
The molecular weight of 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide is 540.14 g/mol.
Where can I buy 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide?
You can request a quote for 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]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-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.