![2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide structure](/static/products/5787/578744-27-1.webp)
2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide
TL;DR: 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide (CAS 578744-27-1) is a chemical compound with molecular formula C20H23N7O3S3 and molecular weight 505.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide, 2-((4-allyl-5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-{[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C20H23N7O3S3 |
|---|---|
| Molecular Weight | 505.10 g/mol |
| LogP | 2.54144 |
| Topological Polar Surface Area | 145.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.10245 |
| Heavy Atoms | 33 |
| Complexity | 1238.158 |
Chemical Identifiers
| CAS Number | 578744-27-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C |
Product Overview
2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide (CAS 578744-27-1), with molecular formula C20H23N7O3S3 and molecular weight 505.10 g/mol. IUPAC: 2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide
Property Insights of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide
The XLogP value of 2.54144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide. The TPSA of 145.75 Ų indicates high polarity, suggesting 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide has 2 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-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide?
The CAS number of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide is 578744-27-1.
What is the molecular formula of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide?
The molecular formula of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide is C20H23N7O3S3.
What is the molecular weight of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide?
The molecular weight of 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide is 505.10 g/mol.
Where can I buy 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide?
You can request a quote for 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)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-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl(1,2,4-triazol-3-yl thio)}-N-(4-sulfamoylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.