![2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide structure](/static/products/847/847916-99-8.webp)
2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide
TL;DR: 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 847916-99-8) is a chemical compound with molecular formula C21H20N6O2S2 and molecular weight 452.10892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(9-ethyl-9-methyl-11-oxo-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-13-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide, 2-[(6-ethyl-7-hydroxy-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Technical Specifications
| Molecular Formula | C21H20N6O2S2 |
| Molecular Weight | 452.10892 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.10892 Da |
| Heavy Atoms | 31 |
| Complexity | 887.0 |
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=N3)NN=C4SCC(=O)NC5=NC=CS5)C |
| InChIKey | ZGVJTCPBZUBBPY-UHFFFAOYSA-N |
Chemical Property Profile of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide
Property Insights of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide
The XLogP value of 3.7 indicates that 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide?
The CAS number of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide is 847916-99-8.
What is the molecular formula of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular formula of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide is C21H20N6O2S2.
What is the molecular weight of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular weight of 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide is 452.10892 g/mol.
Where can I buy 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide?
You can request a quote for 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((6-ethyl-6-methyl-7-oxo-5,6,7,12-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)thio)-N-(thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.