1,2-Bis(3-nitrophenyl)-1,2-ethanedione
TL;DR: 1,2-Bis(3-nitrophenyl)-1,2-ethanedione (CAS 5913-06-4) is a chemical compound with molecular formula C14H8N2O6 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(3-nitrophenyl)ethane-1,2-dione
Also Known As: 3,3'-Dinitrobenzil, 3,5'-Dinitrobenzil, Benzil, 3,5'-dinitro-, Benzil,5'-dinitro-, 3,5//'-Dinitrobenzil
| Molecular Formula | C14H8N2O6 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.03824 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 5913-06-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | SGKVXDKTNJHBCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Bis(3-nitrophenyl)-1,2-ethanedione (CAS 5913-06-4), with molecular formula C14H8N2O6 and molecular weight 300.04 g/mol. IUPAC: 1,2-bis(3-nitrophenyl)ethane-1,2-dione.
Chemical Property Profile of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione
Property Insights of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione
The XLogP value of 3.0 indicates that 1,2-Bis(3-nitrophenyl)-1,2-ethanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(3-nitrophenyl)-1,2-ethanedione. Following Lipinski's Rule of Five, 1,2-Bis(3-nitrophenyl)-1,2-ethanedione 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
Frequently Asked Questions
What is the CAS number of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione?
The CAS number of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione is 5913-06-4.
What is the molecular formula of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione?
The molecular formula of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione is C14H8N2O6.
What is the molecular weight of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione?
The molecular weight of 1,2-Bis(3-nitrophenyl)-1,2-ethanedione is 300.04 g/mol.
Where can I buy 1,2-Bis(3-nitrophenyl)-1,2-ethanedione?
You can request a quote for 1,2-Bis(3-nitrophenyl)-1,2-ethanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(3-nitrophenyl)-1,2-ethanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(3-nitrophenyl)-1,2-ethanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.