![4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure](/static/products/857/857041-70-4.png)
4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
TL;DR: 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 857041-70-4) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-propan-2-ylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-(2-isopropylphenyl)-1-mercapto[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-(2-propan-2-ylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-2-(propan-2-yl)phenyl-1-sulfanyl-4H,5H-1,2,4triazolo4,3-aquinazolin-5-one
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.81939 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 1183.032 |
Chemical Identifiers
| CAS Number | 857041-70-4 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N4C2=NNC4=S |
Product Overview
4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 857041-70-4), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 4-(2-propan-2-ylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Chemical Property Profile of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Property Insights of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
The XLogP value of 3.81939 indicates that 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-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, 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[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-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[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-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The CAS number of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 857041-70-4.
What is the molecular formula of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular formula of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is C18H16N4OS.
What is the molecular weight of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular weight of 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 336.10 g/mol.
Where can I buy 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
You can request a quote for 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[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-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(propan-2-yl)phenyl]-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.