![2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile structure](/static/products/4778/477867-64-4.webp)
2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile
TL;DR: 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile (CAS 477867-64-4) is a chemical compound with molecular formula C18H12F3N3O and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetonitrile
Also Known As: Bionet2_001051, 2-(4-methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile, 2-(4-methoxyphenyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetonitrile, 2-(4-Methoxyphenyl)-2-(3-(trifluoromethyl)-2-quinoxalinyl)acetonitrile, 2-(4-Methoxyphenyl)-2-3-(trifluoromethyl)-2-quinoxalinylacetonitrile
| Molecular Formula | C18H12F3N3O |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 4.31268 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.09326 |
| Heavy Atoms | 25 |
| Complexity | 946.4229 |
Chemical Identifiers
| CAS Number | 477867-64-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2C(F)(F)F |
Product Overview
2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile (CAS 477867-64-4), with molecular formula C18H12F3N3O and molecular weight 343.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile
Property Insights of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile
The XLogP value of 4.31268 indicates that 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile 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 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile is 477867-64-4.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile is C18H12F3N3O.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile is 343.09 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.