![9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/777/777868-52-7.png)
9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777868-52-7) is a chemical compound with molecular formula C24H18F3N5O and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C24H18F3N5O |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | 5.1939 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.14633 |
| Heavy Atoms | 33 |
| Complexity | 1416.9062 |
Chemical Identifiers
| CAS Number | 777868-52-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=NC(=NN3C2C4=CNC5=CC=CC=C54)C(F)(F)F)C6=CC=CC=C6 |
Product Overview
9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777868-52-7), with molecular formula C24H18F3N5O and molecular weight 449.15 g/mol. IUPAC: 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 5.1939 indicates that 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 777868-52-7.
What is the molecular formula of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C24H18F3N5O.
What is the molecular weight of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 449.15 g/mol.
Where can I buy 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(1H-indol-3-yl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.