![4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/923/923809-60-3.png)
4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 923809-60-3) is a chemical compound with molecular formula C14H14N4OS and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-methyl-1-[(2-methylprop-2-en-1-yl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
| Molecular Formula | C14H14N4OS |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.2494 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.08884 |
| Heavy Atoms | 20 |
| Complexity | 877.88306 |
Chemical Identifiers
| CAS Number | 923809-60-3 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=CC=CC=C3C(=O)N2C |
Product Overview
4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 923809-60-3), with molecular formula C14H14N4OS and molecular weight 286.09 g/mol. IUPAC: 4-methyl-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 2.2494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one. With a topological polar surface area (TPSA) of 52.19 Ų, 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one has 0 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 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 923809-60-3.
What is the molecular formula of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C14H14N4OS.
What is the molecular weight of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 286.09 g/mol.
Where can I buy 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-1-((2-methylallyl)thio)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.