![1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone structure](/static/products/4428/442865-52-3.webp)
1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone
TL;DR: 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone (CAS 442865-52-3) is a chemical compound with molecular formula C19H13Cl2N3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone, AF-399/40827564, 1-(3,4-dichlorophenyl)-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one, F1174-3201, 1-(3,4-dichlorophenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
| Molecular Formula | C19H13Cl2N3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 5.47272 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.01562 |
| Heavy Atoms | 26 |
| Complexity | 1156.4049 |
Chemical Identifiers
| CAS Number | 442865-52-3 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone (CAS 442865-52-3), with molecular formula C19H13Cl2N3OS and molecular weight 401.02 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone
Property Insights of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone
The XLogP value of 5.47272 indicates that 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone?
The CAS number of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone is 442865-52-3.
What is the molecular formula of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone?
The molecular formula of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone is C19H13Cl2N3OS.
What is the molecular weight of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone?
The molecular weight of 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone is 401.02 g/mol.
Where can I buy 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone?
You can request a quote for 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorophenyl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.