![1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one structure](/static/products/6744/67442-91-5.webp)
1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
TL;DR: 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 67442-91-5) is a chemical compound with molecular formula C16H12N4OS and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 1-Mercapto-4-(m-tolyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, J1.896.841J, 4-(3-methylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-(3-methylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
| Molecular Formula | C16H12N4OS |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.00441 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.07318 |
| Heavy Atoms | 22 |
| Complexity | 1136.2567 |
Chemical Identifiers
| CAS Number | 67442-91-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S |
Product Overview
1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one (CAS 67442-91-5), with molecular formula C16H12N4OS and molecular weight 308.07 g/mol. IUPAC: 4-(3-methylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Property Insights of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
The XLogP value of 3.00441 indicates that 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 1-mercapto-4-(3-methylphenyl)[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, 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one has 1 hydrogen bond donor(s) and 3 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 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The CAS number of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 67442-91-5.
What is the molecular formula of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular formula of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is C16H12N4OS.
What is the molecular weight of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
The molecular weight of 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one is 308.07 g/mol.
Where can I buy 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
You can request a quote for 1-mercapto-4-(3-methylphenyl)[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 1-mercapto-4-(3-methylphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-mercapto-4-(3-methylphenyl)[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.