![4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure](/static/products/950/95028-49-2.png)
4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
TL;DR: 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 95028-49-2) is a chemical compound with molecular formula C12H10N4OS and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-(prop-2-en-1-yl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-prop-2-enyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-allyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-prop-2-enyl-1-sulfanyl-4,10-dihydro-1,2,4-triazolo[4,3-a]quinazolin-5-one
| Molecular Formula | C12H10N4OS |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.89279 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.05753 |
| Heavy Atoms | 18 |
| Complexity | 871.0317 |
Chemical Identifiers
| CAS Number | 95028-49-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2N3C1=NNC3=S |
Product Overview
4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 95028-49-2), with molecular formula C12H10N4OS and molecular weight 258.06 g/mol. IUPAC: 4-prop-2-enyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Property Insights of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
The XLogP value of 1.89279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one. With a topological polar surface area (TPSA) of 55.09 Ų, 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-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 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The CAS number of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 95028-49-2.
What is the molecular formula of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular formula of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is C12H10N4OS.
What is the molecular weight of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular weight of 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 258.06 g/mol.
Where can I buy 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
You can request a quote for 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyl-1-mercapto-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.