![2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one structure](/static/products/1314/1314603-15-0.webp)
2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
TL;DR: 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one (CAS 1314603-15-0) is a chemical compound with molecular formula C16H10N2O4 and molecular weight 294.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Also Known As: 2-(2-(3-NITROPHENYL)VINYL)BENZO[D]1,3-OXAZIN-4-ONE, 2-[2-(3-nitrophenyl)vinyl]-3,1-benzoxazin-4-one, 2-[2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one, 2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Technical Specifications
| Molecular Formula | C16H10N2O4 |
| Molecular Weight | 294.06406 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.06406 Da |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | XBYFGHMONVRUBR-UHFFFAOYSA-N |
Chemical Property Profile of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
Property Insights of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
The XLogP value of 3.2 indicates that 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The CAS number of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is 1314603-15-0.
What is the molecular formula of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The molecular formula of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is C16H10N2O4.
What is the molecular weight of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
The molecular weight of 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is 294.06406 g/mol.
Where can I buy 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
You can request a quote for 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-[2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.