Phenyl(2-quinoxalinyl)ethanenitrile
TL;DR: Phenyl(2-quinoxalinyl)ethanenitrile (CAS 17357-85-6) is a chemical compound with molecular formula C16H11N3 and molecular weight 245.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-quinoxalin-2-ylacetonitrile
Also Known As: Phenyl(2-quinoxalinyl)acetonitrile, Phenyl(2-quinoxalinyl)ethanenitrile, Phenyl(quinoxaline-2-yl)acetonitrile, Phenyl(2-quinoxalinyl)acetonitrile #, 2-phenyl-2-quinoxalin-2-ylacetonitrile
| Molecular Formula | C16H11N3 |
|---|---|
| Molecular Weight | 245.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.09529 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 17357-85-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2 |
| InChIKey | MWXPSLCBJUQVSS-UHFFFAOYSA-N |
Product Overview
Phenyl(2-quinoxalinyl)ethanenitrile (CAS 17357-85-6), with molecular formula C16H11N3 and molecular weight 245.10 g/mol. IUPAC: 2-phenyl-2-quinoxalin-2-ylacetonitrile.
Chemical Property Profile of Phenyl(2-quinoxalinyl)ethanenitrile
Property Insights of Phenyl(2-quinoxalinyl)ethanenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(2-quinoxalinyl)ethanenitrile. With a topological polar surface area (TPSA) of 49.6 Ų, Phenyl(2-quinoxalinyl)ethanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(2-quinoxalinyl)ethanenitrile 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 Phenyl(2-quinoxalinyl)ethanenitrile?
The CAS number of Phenyl(2-quinoxalinyl)ethanenitrile is 17357-85-6.
What is the molecular formula of Phenyl(2-quinoxalinyl)ethanenitrile?
The molecular formula of Phenyl(2-quinoxalinyl)ethanenitrile is C16H11N3.
What is the molecular weight of Phenyl(2-quinoxalinyl)ethanenitrile?
The molecular weight of Phenyl(2-quinoxalinyl)ethanenitrile is 245.10 g/mol.
Where can I buy Phenyl(2-quinoxalinyl)ethanenitrile?
You can request a quote for Phenyl(2-quinoxalinyl)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(2-quinoxalinyl)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(2-quinoxalinyl)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.