![6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/7778/777870-94-7.webp)
6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777870-94-7) is a chemical compound with molecular formula C22H14ClF5N4O and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6-(3-CHLOROPHENYL)-9-(3,5-DIFLUOROPHENYL)-2-(TRIFLUOROMETHYL)-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C22H14ClF5N4O |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 5.6442 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.07764 |
| Heavy Atoms | 33 |
| Complexity | 1296.1052 |
Chemical Identifiers
| CAS Number | 777870-94-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=NC(=NN3C2C4=CC(=CC(=C4)F)F)C(F)(F)F)C5=CC(=CC=C5)Cl |
Product Overview
6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777870-94-7), with molecular formula C22H14ClF5N4O and molecular weight 480.08 g/mol. IUPAC: 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 5.6442 indicates that 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-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. With a topological polar surface area (TPSA) of 59.81 Ų, 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 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 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 777870-94-7.
What is the molecular formula of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C22H14ClF5N4O.
What is the molecular weight of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 480.08 g/mol.
Where can I buy 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-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 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-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 6-(3-chlorophenyl)-9-(3,5-difluorophenyl)-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.