2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene
TL;DR: 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene (CAS 111397-23-0) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitro-1-(4-phenylbuta-1,3-dienyl)benzene
Also Known As: 2,4-dinitro-1-(4-phenylbuta-1,3-dienyl)benzene, 1-(2,4-dinitrophenyl)-4-phenyl-1,3-butadiene
Technical Specifications
| Molecular Formula | C16H12N2O4 |
| Molecular Weight | 296.0797 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0797 Da |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
| SMILES | C1=CC=C(C=C1)C=CC=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZSGAOXNLIZLYFG-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene
Property Insights of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene
The XLogP value of 4.5 indicates that 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene. Following Lipinski's Rule of Five, 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene 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
What is the CAS number of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene?
The CAS number of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene is 111397-23-0.
What is the molecular formula of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene?
The molecular formula of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene is C16H12N2O4.
What is the molecular weight of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene?
The molecular weight of 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene is 296.0797 g/mol.
Where can I buy 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene?
You can request a quote for 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2,4-Dinitro-1-(4-phenylbuta-1,3-dienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.