5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline
TL;DR: 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline (CAS 52823-94-6) is a chemical compound with molecular formula C13H11F3N2O4 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline
Also Known As: 5,8-dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline, 5,8-Dimethoxy-4-methyl-6-nitro-2-[trifluoromethyl]quinoline, RefChem:298955
| Molecular Formula | C13H11F3N2O4 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.06708 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 52823-94-6 |
|---|---|
| SMILES | CC1=CC(=NC2=C(C=C(C(=C12)OC)[N+](=O)[O-])OC)C(F)(F)F |
| InChIKey | STTAWAHQGQQOHJ-UHFFFAOYSA-N |
Product Overview
5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline (CAS 52823-94-6), with molecular formula C13H11F3N2O4 and molecular weight 316.07 g/mol. IUPAC: 5,8-dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline
Property Insights of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline
The XLogP value of 3.2 indicates that 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline. Following Lipinski's Rule of Five, 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline has 0 hydrogen bond donor(s) and 8 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 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline?
The CAS number of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline is 52823-94-6.
What is the molecular formula of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline?
The molecular formula of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline is C13H11F3N2O4.
What is the molecular weight of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline?
The molecular weight of 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline is 316.07 g/mol.
Where can I buy 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline?
You can request a quote for 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Dimethoxy-4-methyl-6-nitro-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.