4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
TL;DR: 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline (CAS 654-98-8) is a chemical compound with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
Also Known As: 4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline, BUTTPARK 95\04-02, 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)-quinoline, 9108AA, 5-Chloro-2-(trifluoromethyl)benzoic acid
| Molecular Formula | C11H6ClF3N2O2 |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 4.12362 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.007 |
| Heavy Atoms | 19 |
| Complexity | 685.6751 |
Chemical Identifiers
| CAS Number | 654-98-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline (CAS 654-98-8), with molecular formula C11H6ClF3N2O2 and molecular weight 290.01 g/mol. IUPAC: 4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
Property Insights of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
The XLogP value of 4.12362 indicates that 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)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 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline?
The CAS number of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline is 654-98-8.
What is the molecular formula of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline?
The molecular formula of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline is C11H6ClF3N2O2.
What is the molecular weight of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline?
The molecular weight of 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline is 290.01 g/mol.
Where can I buy 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline?
You can request a quote for 4-Chloro-6-methyl-5-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 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.