3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline
TL;DR: 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline (CAS 52833-87-1) is a chemical compound with molecular formula C20H16F3NOS and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfanyl-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline
Also Known As: 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline, 6H-(1)Benzothiopyrano(4,3-b)quinoline, 3-(trifluoromethyl)-, 6H-[1]Benzothiopyrano[4,3-b]quinoline, 3-(trifluoromethyl)-, 1-benzylsulfanyl-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline, 1-(Benzylsulfanyl)-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline
| Molecular Formula | C20H16F3NOS |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 3.7817 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.09048 |
| Heavy Atoms | 26 |
| Complexity | 967.0313 |
Chemical Identifiers
| CAS Number | 52833-87-1 |
|---|---|
| SMILES | C1CC2=NC3=CC(OC(=C3C=C2C=C1)SCC4=CC=CC=C4)C(F)(F)F |
Product Overview
3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline (CAS 52833-87-1), with molecular formula C20H16F3NOS and molecular weight 375.09 g/mol. IUPAC: 1-benzylsulfanyl-3-(trifluoromethyl)-6,7-dihydro-3H-pyrano[4,3-b]quinoline.
Chemical Property Profile of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline
Property Insights of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline
The XLogP value of 3.7817 indicates that 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline has 0 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 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline?
The CAS number of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline is 52833-87-1.
What is the molecular formula of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline?
The molecular formula of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline is C20H16F3NOS.
What is the molecular weight of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline?
The molecular weight of 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline is 375.09 g/mol.
Where can I buy 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline?
You can request a quote for 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)-6H-(1)benzothiopyrano(4,3-b)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.