![2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/698/698375-65-4.png)
2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 698375-65-4) is a chemical compound with molecular formula C19H19F3N4O4 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C19H19F3N4O4 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 3.3447 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.13583 |
| Heavy Atoms | 30 |
| Complexity | 1045.131 |
Chemical Identifiers
| CAS Number | 698375-65-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2C3=C(CCCC3=O)NC4=NC(=NN24)C(F)(F)F)OC)OC |
Product Overview
2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 698375-65-4), with molecular formula C19H19F3N4O4 and molecular weight 424.14 g/mol. IUPAC: 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 3.3447 indicates that 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-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 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 hydrogen bond donor(s) and 7 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)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 698375-65-4.
What is the molecular formula of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C19H19F3N4O4.
What is the molecular weight of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 424.14 g/mol.
Where can I buy 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-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 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)-9-(2,3,4-trimethoxyphenyl)-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.