6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
TL;DR: 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline (CAS 80141-97-5) is a chemical compound with molecular formula C11H6BrClF3N and molecular weight 322.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
Also Known As: 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline, BUTTPARK 29\04-10, 5-Fluoro-2-methylphenylacetonitrile, 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline, Ethyl4-nitro-1H-pyrazole-5-carboxylate
| Molecular Formula | C11H6BrClF3N |
|---|---|
| Molecular Weight | 322.93 g/mol |
| LogP | 4.8019 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.93243 |
| Heavy Atoms | 17 |
| Complexity | 568.3805 |
Chemical Identifiers
| CAS Number | 80141-97-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl |
Product Overview
6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline (CAS 80141-97-5), with molecular formula C11H6BrClF3N and molecular weight 322.93 g/mol. IUPAC: 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
Property Insights of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
The XLogP value of 4.8019 indicates that 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline has 0 hydrogen bond donor(s) and 1 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 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline?
The CAS number of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline is 80141-97-5.
What is the molecular formula of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline?
The molecular formula of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline is C11H6BrClF3N.
What is the molecular weight of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline?
The molecular weight of 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline is 322.93 g/mol.
Where can I buy 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline?
You can request a quote for 6-(Bromomethyl)-4-chloro-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 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.