![2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide structure](/static/products/863/863452-75-9.png)
2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide
TL;DR: 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide (CAS 863452-75-9) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
Also Known As: 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide, F0682-0019, 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide, 2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.61724 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1158.525 |
Chemical Identifiers
| CAS Number | 863452-75-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4)C |
Product Overview
2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide (CAS 863452-75-9), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: 2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide.
Chemical Property Profile of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide
Property Insights of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide
The XLogP value of 3.61724 indicates that 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The CAS number of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 863452-75-9.
What is the molecular formula of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular formula of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide is C21H20N6OS.
What is the molecular weight of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular weight of 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 404.14 g/mol.
Where can I buy 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
You can request a quote for 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-(2,4-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.