1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
TL;DR: 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione (CAS 329935-57-1) is a chemical compound with molecular formula C14H6Br2N2O6 and molecular weight 455.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
Also Known As: Benzil-based compound, 25, 1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione, 1,2-bis(4-bromo-3-nitrophenyl)-1,2-ethanedione, 1,2-bis(4-bromo-3-nitro-phenyl)ethane-1,2-dione, 1,2-Bis-(4-bromo-3-nitro-phenyl)-ethane-1,2-dione
| Molecular Formula | C14H6Br2N2O6 |
|---|---|
| Molecular Weight | 455.86 g/mol |
| LogP | 4.0936 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.85925 |
| Heavy Atoms | 24 |
| Complexity | 823.32855 |
Chemical Identifiers
| CAS Number | 329935-57-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-])Br |
Product Overview
1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione (CAS 329935-57-1), with molecular formula C14H6Br2N2O6 and molecular weight 455.86 g/mol. IUPAC: 1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione.
Chemical Property Profile of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
Property Insights of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
The XLogP value of 4.0936 indicates that 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione. Following Lipinski's Rule of Five, 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-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
Frequently Asked Questions
What is the CAS number of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione?
The CAS number of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione is 329935-57-1.
What is the molecular formula of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione?
The molecular formula of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione is C14H6Br2N2O6.
What is the molecular weight of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione?
The molecular weight of 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione is 455.86 g/mol.
Where can I buy 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione?
You can request a quote for 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione 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(4-bromo-3-nitrophenyl)ethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(4-bromo-3-nitrophenyl)ethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.