![N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/5869/586985-64-0.webp)
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 586985-64-0) is a chemical compound with molecular formula C24H23N7OS3 and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{5-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-phenyl(1,2,4-triazol-3-ylthio) }-N-(3-cyano-4,5-dimethyl(2-thienyl))acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C24H23N7OS3 |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 5.24726 |
| Topological Polar Surface Area | 109.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1126 |
| Heavy Atoms | 35 |
| Complexity | 1386.4865 |
Chemical Identifiers
| CAS Number | 586985-64-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C(=C(S4)C)C)C#N)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 586985-64-0), with molecular formula C24H23N7OS3 and molecular weight 521.11 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 5.24726 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 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 N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 586985-64-0.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C24H23N7OS3.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 521.11 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-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-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.