4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
TL;DR: 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 959271-96-6) is a chemical compound with molecular formula C12H6ClF3N2O and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
Also Known As: 4-chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile, 2-Bromo-5-methoxybenzo[d]thiazole, 6591AC, 4-Chloro-6-methoxy-2-(trifluoromethyl)-quinoline-3-carbonitrile, I08-0344
| Molecular Formula | C12H6ClF3N2O |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 3.78728 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0121 |
| Heavy Atoms | 19 |
| Complexity | 691.90466 |
Chemical Identifiers
| CAS Number | 959271-96-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(C(=C2Cl)C#N)C(F)(F)F |
Product Overview
4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 959271-96-6), with molecular formula C12H6ClF3N2O and molecular weight 286.01 g/mol. IUPAC: 4-chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile.
Chemical Property Profile of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
Property Insights of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
The XLogP value of 3.78728 indicates that 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile 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-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The CAS number of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is 959271-96-6.
What is the molecular formula of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The molecular formula of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is C12H6ClF3N2O.
What is the molecular weight of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
The molecular weight of 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile is 286.01 g/mol.
Where can I buy 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
You can request a quote for 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile 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-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.