2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile
TL;DR: 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile (CAS 68350-66-3) is a chemical compound with molecular formula C16H11N3O and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile
Also Known As: 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile, (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylaceto, 2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile, (2E)-2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile, (2E)-2-(3-OXO-1,4-DIHYDROQUINOXALIN-2-YLIDENE)-2-PHENYL-ACETONITRILE
| Molecular Formula | C16H11N3O |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0902 |
| Heavy Atoms | 20 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 68350-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C(=O)NC3=CC=CC=C3N2)C#N |
| InChIKey | BUFRYGPHYVLLTC-UHFFFAOYSA-N |
Product Overview
2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile (CAS 68350-66-3), with molecular formula C16H11N3O and molecular weight 261.09 g/mol. IUPAC: 2-(3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-phenylacetonitrile.
Chemical Property Profile of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile
Property Insights of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile. Following Lipinski's Rule of Five, 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile has 2 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 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile?
The CAS number of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile is 68350-66-3.
What is the molecular formula of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile?
The molecular formula of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile is C16H11N3O.
What is the molecular weight of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile?
The molecular weight of 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile is 261.09 g/mol.
Where can I buy 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile?
You can request a quote for 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-3,4-dihydroquinoxalin-2(1H)-ylidene)-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.