![2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one structure](/static/products/876/876667-97-9.png)
2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
TL;DR: 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one (CAS 876667-97-9) is a chemical compound with molecular formula C10H9F3N4O and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Also Known As: BAS 12534460, 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one, A4128/0176028, [1,2,4]Triazolo[5,1-b]quinazolin-9(4H)-one, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-, 2-(TRIFLUOROMETHYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-9-ONE
| Molecular Formula | C10H9F3N4O |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.3152 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.07285 |
| Heavy Atoms | 18 |
| Complexity | 670.0382 |
Chemical Identifiers
| CAS Number | 876667-97-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N3C(=N2)N=C(N3)C(F)(F)F |
Product Overview
2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one (CAS 876667-97-9), with molecular formula C10H9F3N4O and molecular weight 258.07 g/mol. IUPAC: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
Chemical Property Profile of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Property Insights of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
The XLogP value of 1.3152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one. Following Lipinski's Rule of Five, 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one has 1 hydrogen bond donor(s) and 3 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-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one?
The CAS number of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one is 876667-97-9.
What is the molecular formula of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one?
The molecular formula of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one is C10H9F3N4O.
What is the molecular weight of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one?
The molecular weight of 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one is 258.07 g/mol.
Where can I buy 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one?
You can request a quote for 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.