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8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione
TL;DR: 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione (CAS 701920-70-9) is a chemical compound with molecular formula C11H6F3NO2S and molecular weight 273.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-g]quinoline-6-thione
Also Known As: 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione, 8-(trifluoromethyl)-2H-1,3-dioxoleno[4,5-g]quinoline-6-thiol, 8-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-g]quinoline-6-thione, 8-(Trifluoromethyl)-2H-[1,3]dioxolo[4,5-g]quinoline-6(5H)-thione
| Molecular Formula | C11H6F3NO2S |
|---|---|
| Molecular Weight | 273.01 g/mol |
| LogP | 3.64489 |
| Topological Polar Surface Area | 34.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.00714 |
| Heavy Atoms | 18 |
| Complexity | 692.9734 |
Chemical Identifiers
| CAS Number | 701920-70-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=CC(=S)N3)C(F)(F)F |
Product Overview
8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione (CAS 701920-70-9), with molecular formula C11H6F3NO2S and molecular weight 273.01 g/mol. IUPAC: 8-(trifluoromethyl)-5H-[1,3]dioxolo[4,5-g]quinoline-6-thione.
Chemical Property Profile of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione
Property Insights of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione
The XLogP value of 3.64489 indicates that 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.25 Ų, 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione 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 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione?
The CAS number of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione is 701920-70-9.
What is the molecular formula of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione?
The molecular formula of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione is C11H6F3NO2S.
What is the molecular weight of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione?
The molecular weight of 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione is 273.01 g/mol.
Where can I buy 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione?
You can request a quote for 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Trifluoromethyl)-1,3-dioxolo[4,5-g]quinoline-6(5H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.