![2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide structure](/static/products/850/850348-89-9.png)
2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide
TL;DR: 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide (CAS 850348-89-9) is a chemical compound with molecular formula C21H16F3N5O2S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
Also Known As: 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide, 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
| Molecular Formula | C21H16F3N5O2S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 3.7668 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.0977 |
| Heavy Atoms | 32 |
| Complexity | 1432.7361 |
Chemical Identifiers
| CAS Number | 850348-89-9 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C |
Product Overview
2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide (CAS 850348-89-9), with molecular formula C21H16F3N5O2S and molecular weight 459.10 g/mol. IUPAC: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide.
Chemical Property Profile of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide
Property Insights of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide
The XLogP value of 3.7668 indicates that 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide. Following Lipinski's Rule of Five, 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide has 1 hydrogen bond donor(s) and 5 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-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide?
The CAS number of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide is 850348-89-9.
What is the molecular formula of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide?
The molecular formula of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide is C21H16F3N5O2S.
What is the molecular weight of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide?
The molecular weight of 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide is 459.10 g/mol.
Where can I buy 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide?
You can request a quote for 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.