![8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline structure](/static/products/3152/315239-55-5.webp)
8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
TL;DR: 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline (CAS 315239-55-5) is a chemical compound with molecular formula C16H8F3N3O4S and molecular weight 395.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline
Also Known As: BAS 00312522, UPCMLD0ENAT0502-0143:001, 8-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline, AE-848/32608018, 8-((2,6-dinitro-4-(trifluoromethyl)phenyl)thio)quinoline
| Molecular Formula | C16H8F3N3O4S |
|---|---|
| Molecular Weight | 395.02 g/mol |
| LogP | 5.2212 |
| Topological Polar Surface Area | 99.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.01877 |
| Heavy Atoms | 27 |
| Complexity | 1031.9501 |
Chemical Identifiers
| CAS Number | 315239-55-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])N=CC=C2 |
Product Overview
8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline (CAS 315239-55-5), with molecular formula C16H8F3N3O4S and molecular weight 395.02 g/mol. IUPAC: 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline.
Chemical Property Profile of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
Property Insights of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
The XLogP value of 5.2212 indicates that 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline. Following Lipinski's Rule of Five, 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The CAS number of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline is 315239-55-5.
What is the molecular formula of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The molecular formula of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline is C16H8F3N3O4S.
What is the molecular weight of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline?
The molecular weight of 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline is 395.02 g/mol.
Where can I buy 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline?
You can request a quote for 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.