2,2',4,4'-Tetranitro-1,1'-biphenyl
TL;DR: 2,2',4,4'-Tetranitro-1,1'-biphenyl (CAS 1820-59-3) is a chemical compound with molecular formula C12H6N4O8 and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)-2,4-dinitrobenzene
Also Known As: 2,4,2',4'-Tetranitrobiphenyl, 2,2',4,4'-Tetranitrobiphenyl, 1-(2,4-dinitrophenyl)-2,4-dinitrobenzene, Biphenyl, 2,2',4,4'-tetranitro-, 2,4,4'-Tetranitrobiphenyl
| Molecular Formula | C12H6N4O8 |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.01855 |
| Heavy Atoms | 24 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 1820-59-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UDJCKALRMXKDIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',4,4'-Tetranitro-1,1'-biphenyl (CAS 1820-59-3), with molecular formula C12H6N4O8 and molecular weight 334.02 g/mol. IUPAC: 1-(2,4-dinitrophenyl)-2,4-dinitrobenzene.
Chemical Property Profile of 2,2',4,4'-Tetranitro-1,1'-biphenyl
Property Insights of 2,2',4,4'-Tetranitro-1,1'-biphenyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4,4'-Tetranitro-1,1'-biphenyl. The TPSA of 183.0 Ų indicates high polarity, suggesting 2,2',4,4'-Tetranitro-1,1'-biphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',4,4'-Tetranitro-1,1'-biphenyl has 0 hydrogen bond donor(s) and 8 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 2,2',4,4'-Tetranitro-1,1'-biphenyl?
The CAS number of 2,2',4,4'-Tetranitro-1,1'-biphenyl is 1820-59-3.
What is the molecular formula of 2,2',4,4'-Tetranitro-1,1'-biphenyl?
The molecular formula of 2,2',4,4'-Tetranitro-1,1'-biphenyl is C12H6N4O8.
What is the molecular weight of 2,2',4,4'-Tetranitro-1,1'-biphenyl?
The molecular weight of 2,2',4,4'-Tetranitro-1,1'-biphenyl is 334.02 g/mol.
Where can I buy 2,2',4,4'-Tetranitro-1,1'-biphenyl?
You can request a quote for 2,2',4,4'-Tetranitro-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,4'-Tetranitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4'-Tetranitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.