(2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
TL;DR: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile (CAS 1339943-71-3) is a chemical compound with molecular formula C16H9N3O3 and molecular weight 291.0644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Also Known As: (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile, J2.990.793E, VU0510132-1, (E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile, alpha-(3-Nitrobenzylidene)benzoxazole-2-acetonitrile
Technical Specifications
| Molecular Formula | C16H9N3O3 |
| Molecular Weight | 291.0644 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0644 Da |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
| SMILES | C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
| InChIKey | XEGLLDFKCXGJGX-XYOKQWHBSA-N |
Chemical Property Profile of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
Property Insights of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile
The XLogP value of 3.4 indicates that (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile 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 (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The CAS number of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 1339943-71-3.
What is the molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is C16H9N3O3.
What is the molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile is 291.0644 g/mol.
Where can I buy (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (2E)-2-(1,3-benzoxazol-2-yl)-3-(3-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.