![2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone structure](/static/products/6909/690961-51-4.webp)
2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone
TL;DR: 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone (CAS 690961-51-4) is a chemical compound with molecular formula C18H13N3OS and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone
Also Known As: ChemDiv3_006340, IDI1_024250, F3394-0725, VU0618205-1, BRD-K28323598-001-01-5
| Molecular Formula | C18H13N3OS |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 3.8575 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.07794 |
| Heavy Atoms | 23 |
| Complexity | 994.93475 |
Chemical Identifiers
| CAS Number | 690961-51-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C=C3 |
Product Overview
2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone (CAS 690961-51-4), with molecular formula C18H13N3OS and molecular weight 319.08 g/mol. IUPAC: 1-phenyl-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone.
Chemical Property Profile of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone
Property Insights of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone
The XLogP value of 3.8575 indicates that 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone 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 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone?
The CAS number of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone is 690961-51-4.
What is the molecular formula of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone?
The molecular formula of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone is C18H13N3OS.
What is the molecular weight of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone?
The molecular weight of 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone is 319.08 g/mol.
Where can I buy 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone?
You can request a quote for 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-([1,2,4]Triazolo[4,3-a]quinolin-1-ylthio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.