4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile
TL;DR: 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile (CAS 338773-68-5) is a chemical compound with molecular formula C16H8F3N3O and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile
Also Known As: 4-[3-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile, 4-{[3-(trifluoromethyl)quinoxalin-2-yl]oxy}benzonitrile, 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile, 2K-078, 4-{[3-(trifluoromethyl)-2-quinoxalinyl]oxy}benzenecarbonitrile
| Molecular Formula | C16H8F3N3O |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.31258 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.06195 |
| Heavy Atoms | 23 |
| Complexity | 899.0729 |
Chemical Identifiers
| CAS Number | 338773-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C#N)C(F)(F)F |
Product Overview
4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile (CAS 338773-68-5), with molecular formula C16H8F3N3O and molecular weight 315.06 g/mol. IUPAC: 4-[3-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile.
Chemical Property Profile of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile
Property Insights of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile
The XLogP value of 4.31258 indicates that 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile has 0 hydrogen bond donor(s) and 4 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-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile?
The CAS number of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile is 338773-68-5.
What is the molecular formula of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile?
The molecular formula of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile is C16H8F3N3O.
What is the molecular weight of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile?
The molecular weight of 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile is 315.06 g/mol.
Where can I buy 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile?
You can request a quote for 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Trifluoromethyl)-2-quinoxalinyl)oxy)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.