![9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one structure](/static/products/777/777870-31-2.png)
9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
TL;DR: 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CAS 777870-31-2) is a chemical compound with molecular formula C22H18F2N4O and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one, 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol, 9-(3,5-difluorophenyl)-6-(m-tolyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
| Molecular Formula | C22H18F2N4O |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 4.28042 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.14487 |
| Heavy Atoms | 29 |
| Complexity | 1146.8739 |
Chemical Identifiers
| CAS Number | 777870-31-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2CC3=C(C(N4C(=NC=N4)N3)C5=CC(=CC(=C5)F)F)C(=O)C2 |
Product Overview
9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CAS 777870-31-2), with molecular formula C22H18F2N4O and molecular weight 392.14 g/mol. IUPAC: 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-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-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Property Insights of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
The XLogP value of 4.28042 indicates that 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-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-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-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-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The CAS number of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is 777870-31-2.
What is the molecular formula of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The molecular formula of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is C22H18F2N4O.
What is the molecular weight of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The molecular weight of 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is 392.14 g/mol.
Where can I buy 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
You can request a quote for 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-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-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(3,5-difluorophenyl)-6-(3-methylphenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.