![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-(3-(trifluoromethyl)phenyl)acetamide structure](/static/products/845/845805-28-9.png)
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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide (CAS 845805-28-9) is a chemical compound with molecular formula C25H22F3N5O2S and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-[3-(trifluoromethyl)phenyl]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-(3-(trifluoromethyl)phenyl)acetamide, 2-[(6-ethyl-7-hydroxy-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C25H22F3N5O2S |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 5.058 |
| Topological Polar Surface Area | 92.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.14465 |
| Heavy Atoms | 36 |
| Complexity | 1544.9724 |
Chemical Identifiers
| CAS Number | 845805-28-9 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=N3)NN=C4SCC(=O)NC5=CC=CC(=C5)C(F)(F)F)C |
Product Overview
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-(3-(trifluoromethyl)phenyl)acetamide (CAS 845805-28-9), with molecular formula C25H22F3N5O2S and molecular weight 513.14 g/mol. IUPAC: 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-[3-(trifluoromethyl)phenyl]acetamide.
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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide
The XLogP value of 5.058 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-(3-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.15 Ų falls within the moderate polarity range, balancing permeability and solubility 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-(3-(trifluoromethyl)phenyl)acetamide. 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-(3-(trifluoromethyl)phenyl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide is 845805-28-9.
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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide is C25H22F3N5O2S.
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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide is 513.14 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-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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-(3-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO 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-(3-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.