![9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one structure](/static/products/7778/777870-53-8.webp)
9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
TL;DR: 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777870-53-8) is a chemical compound with molecular formula C22H17F3N4O and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-4,5,6,7,9,10-hexahydro-1,2, 4-triazolo[5,1-b]quinazolin-8-one, 9-(3,5-DIFLUOROPHENYL)-6-(4-FLUOROPHENYL)-2-METHYL-4H,5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[3,2-B]QUINAZOLIN-8-ONE, 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C22H17F3N4O |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 4.41952 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.13544 |
| Heavy Atoms | 30 |
| Complexity | 1179.3418 |
Chemical Identifiers
| CAS Number | 777870-53-8 |
|---|---|
| SMILES | CC1=NN2C(C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC2=N1)C5=CC(=CC(=C5)F)F |
Product Overview
9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 777870-53-8), with molecular formula C22H17F3N4O and molecular weight 410.14 g/mol. IUPAC: 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Property Insights of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
The XLogP value of 4.41952 indicates that 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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, 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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, 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The CAS number of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 777870-53-8.
What is the molecular formula of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular formula of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C22H17F3N4O.
What is the molecular weight of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
The molecular weight of 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 410.14 g/mol.
Where can I buy 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one?
You can request a quote for 9-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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-(3,5-difluorophenyl)-6-(4-fluorophenyl)-2-methyl-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.