![N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide structure](/static/products/7945/794561-86-7.webp)
N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
TL;DR: N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide (CAS 794561-86-7) is a chemical compound with molecular formula C25H26N6O2S and molecular weight 474.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
Also Known As: N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide, N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
| Molecular Formula | C25H26N6O2S |
|---|---|
| Molecular Weight | 474.18 g/mol |
| LogP | 3.79682 |
| Topological Polar Surface Area | 105.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1838 |
| Heavy Atoms | 34 |
| Complexity | 1493.6423 |
Chemical Identifiers
| CAS Number | 794561-86-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NC(C)(C#N)C(C)C |
Product Overview
N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide (CAS 794561-86-7), with molecular formula C25H26N6O2S and molecular weight 474.18 g/mol. IUPAC: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Property Insights of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
The XLogP value of 3.79682 indicates that N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}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 N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The CAS number of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is 794561-86-7.
What is the molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The molecular formula of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is C25H26N6O2S.
What is the molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
The molecular weight of N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide is 474.18 g/mol.
Where can I buy N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
You can request a quote for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-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-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyano-1,2-dimethylpropyl)-2-{[4-(2,6-dimethylphenyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.