3-(2,4-Dinitrophenyl)pentane-2,4-dione
TL;DR: 3-(2,4-Dinitrophenyl)pentane-2,4-dione (CAS 15455-02-4) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dinitrophenyl)pentane-2,4-dione
Also Known As: 3-(2,4-dinitrophenyl)pentane-2,4-dione, 3-(2,4-dinitro-phenyl)-pentane-2,4-dione, 3-(2,4-Dinitrophenyl)-2,4-pentanedione, J1.421.833E
Technical Specifications
| Molecular Formula | C11H10N2O6 |
| Molecular Weight | 266.0539 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0539 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | CC(=O)C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)C |
| InChIKey | DCPQHLVFILJUAJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,4-Dinitrophenyl)pentane-2,4-dione
Property Insights of 3-(2,4-Dinitrophenyl)pentane-2,4-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dinitrophenyl)pentane-2,4-dione. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Dinitrophenyl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(2,4-Dinitrophenyl)pentane-2,4-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2,4-Dinitrophenyl)pentane-2,4-dione?
The CAS number of 3-(2,4-Dinitrophenyl)pentane-2,4-dione is 15455-02-4.
What is the molecular formula of 3-(2,4-Dinitrophenyl)pentane-2,4-dione?
The molecular formula of 3-(2,4-Dinitrophenyl)pentane-2,4-dione is C11H10N2O6.
What is the molecular weight of 3-(2,4-Dinitrophenyl)pentane-2,4-dione?
The molecular weight of 3-(2,4-Dinitrophenyl)pentane-2,4-dione is 266.0539 g/mol.
Where can I buy 3-(2,4-Dinitrophenyl)pentane-2,4-dione?
You can request a quote for 3-(2,4-Dinitrophenyl)pentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,4-Dinitrophenyl)pentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-(2,4-Dinitrophenyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.