![1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one structure](/static/products/852/852696-84-5.png)
1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one (CAS 852696-84-5) is a chemical compound with molecular formula C19H11ClF3NO3S and molecular weight 425.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one, 1-(4-chlorophenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-[8-(trifluoromethyl)(2H-1,3-dioxoleno[4,5-g]quinolin-6-yl thio)]ethan-1-one, 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethanone
| Molecular Formula | C19H11ClF3NO3S |
|---|---|
| Molecular Weight | 425.01 g/mol |
| LogP | 5.6107 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.01004 |
| Heavy Atoms | 28 |
| Complexity | 1070.6923 |
Chemical Identifiers
| CAS Number | 852696-84-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one (CAS 852696-84-5), with molecular formula C19H11ClF3NO3S and molecular weight 425.01 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[8-(trifluoromethyl)-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one
The XLogP value of 5.6107 indicates that 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one is 852696-84-5.
What is the molecular formula of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one is C19H11ClF3NO3S.
What is the molecular weight of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one is 425.01 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{[8-(trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinolin-6-yl]sulfanyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.