![4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile structure](/static/products/2946/294648-20-7.webp)
4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile
TL;DR: 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile (CAS 294648-20-7) is a chemical compound with molecular formula C17H10N2O2 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]benzonitrile
Also Known As: 4-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]benzonitrile, 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile, 4-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl]benzonitrile, (E)-4-(2-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)vinyl)benzonitrile, 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile #
| Molecular Formula | C17H10N2O2 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 3.23008 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.07422 |
| Heavy Atoms | 21 |
| Complexity | 915.91327 |
Chemical Identifiers
| CAS Number | 294648-20-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)/C=C/C3=CC=C(C=C3)C#N |
Product Overview
4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile (CAS 294648-20-7), with molecular formula C17H10N2O2 and molecular weight 274.07 g/mol. IUPAC: 4-[(E)-2-(4-oxo-3,1-benzoxazin-2-yl)ethenyl]benzonitrile.
Chemical Property Profile of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile
Property Insights of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile
The XLogP value of 3.23008 indicates that 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile 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-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile?
The CAS number of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile is 294648-20-7.
What is the molecular formula of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile?
The molecular formula of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile is C17H10N2O2.
What is the molecular weight of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile?
The molecular weight of 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile is 274.07 g/mol.
Where can I buy 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile?
You can request a quote for 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-2-(4-Oxo-4H-3,1-benzoxazin-2-yl)ethenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.