![[4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate structure](/static/products/824/824418-17-9.png)
[4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate
TL;DR: [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate (CAS 824418-17-9) is a chemical compound with molecular formula C25H24N4O3 and molecular weight 428.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate
Also Known As: [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate|4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl 4-methylbenzoate|4-(6,6-dimethyl-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl 4-methylbenzoate|4-(8-hydroxy-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl 4-methylbenzoate
| Molecular Formula | C25H24N4O3 |
|---|---|
| Molecular Weight | 428.18 g/mol |
| LogP | 4.46382 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.18484 |
| Heavy Atoms | 32 |
| Complexity | 1236.9513 |
Chemical Identifiers
| CAS Number | 824418-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC5=NC=NN35 |
Product Overview
[4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate (CAS 824418-17-9), with molecular formula C25H24N4O3 and molecular weight 428.18 g/mol. IUPAC: [4-(6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate.
Chemical Property Profile of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate
Property Insights of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate
The XLogP value of 4.46382 indicates that [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate has 1 hydrogen bond donor(s) and 6 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 [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate?
The CAS number of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate is 824418-17-9.
What is the molecular formula of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate?
The molecular formula of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate is C25H24N4O3.
What is the molecular weight of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate?
The molecular weight of [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate is 428.18 g/mol.
Where can I buy [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate?
You can request a quote for [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(6,6-dimethyl-8-oxo-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.