![2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide structure](/static/products/443/443113-89-1.png)
2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide
TL;DR: 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide (CAS 443113-89-1) is a chemical compound with molecular formula C25H30N4O5S and molecular weight 498.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
Also Known As: 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide, 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butyl-acetamide, 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide, 2-{[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
| Molecular Formula | C25H30N4O5S |
|---|---|
| Molecular Weight | 498.19 g/mol |
| LogP | 4.2468 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.1937 |
| Heavy Atoms | 35 |
| Complexity | 1196.9601 |
Chemical Identifiers
| CAS Number | 443113-89-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC |
Product Overview
2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide (CAS 443113-89-1), with molecular formula C25H30N4O5S and molecular weight 498.19 g/mol. IUPAC: 2-[[5,6-bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide.
Chemical Property Profile of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide
Property Insights of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide
The XLogP value of 4.2468 indicates that 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide. Following Lipinski's Rule of Five, 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide?
The CAS number of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide is 443113-89-1.
What is the molecular formula of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide?
The molecular formula of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide is C25H30N4O5S.
What is the molecular weight of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide?
The molecular weight of 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide is 498.19 g/mol.
Where can I buy 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide?
You can request a quote for 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5,6-Bis(3,4-dimethoxyphenyl)-1,2,4-triazin-3-yl]thio]-N-(1,1-dimethylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.