1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one
TL;DR: 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one (CAS 621-21-6) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one
Also Known As: 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one, AI3-08904, 1,5-Bis(3-nitrophenyl)-1,4-pentadien-3-one, 1,5-Bis(m-nitrophenyl)-1,4-pentadien-3-one, 1,4-Pentadien-3-one,1,5-bis(3-nitrophenyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H12N2O5 |
| Molecular Weight | 324.07462 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.07462 Da |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ZPQURSDVJWZXLQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one
Property Insights of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one
The XLogP value of 3.8 indicates that 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one. Following Lipinski's Rule of Five, 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-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 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one?
The CAS number of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one is 621-21-6.
What is the molecular formula of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one?
The molecular formula of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one is C17H12N2O5.
What is the molecular weight of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one?
The molecular weight of 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one is 324.07462 g/mol.
Where can I buy 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one?
You can request a quote for 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one?
Yes, CoreyChem provides custom synthesis services for 1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.