2,2',4,4',6,6'-Hexanitrobiphenyl
TL;DR: 2,2',4,4',6,6'-Hexanitrobiphenyl (CAS 4433-16-3) is a chemical compound with molecular formula C12H4N6O12 and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
Also Known As: HNBP, 2,2',4,4',6,6'-Hexanitrobiphenyl, Ex137, 1,1'-Biphenyl,2,2',4,4',6,6'-hexanitro-, 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene
| Molecular Formula | C12H4N6O12 |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.9887 |
| Heavy Atoms | 30 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 4433-16-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PJTZYMXZEQWUHG-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',6,6'-Hexanitrobiphenyl (CAS 4433-16-3), with molecular formula C12H4N6O12 and molecular weight 423.99 g/mol. IUPAC: 1,3,5-trinitro-2-(2,4,6-trinitrophenyl)benzene.
Chemical Property Profile of 2,2',4,4',6,6'-Hexanitrobiphenyl
Property Insights of 2,2',4,4',6,6'-Hexanitrobiphenyl
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4,4',6,6'-Hexanitrobiphenyl. The TPSA of 275.0 Ų indicates high polarity, suggesting 2,2',4,4',6,6'-Hexanitrobiphenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',4,4',6,6'-Hexanitrobiphenyl has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',4,4',6,6'-Hexanitrobiphenyl?
The CAS number of 2,2',4,4',6,6'-Hexanitrobiphenyl is 4433-16-3.
What is the molecular formula of 2,2',4,4',6,6'-Hexanitrobiphenyl?
The molecular formula of 2,2',4,4',6,6'-Hexanitrobiphenyl is C12H4N6O12.
What is the molecular weight of 2,2',4,4',6,6'-Hexanitrobiphenyl?
The molecular weight of 2,2',4,4',6,6'-Hexanitrobiphenyl is 423.99 g/mol.
Where can I buy 2,2',4,4',6,6'-Hexanitrobiphenyl?
You can request a quote for 2,2',4,4',6,6'-Hexanitrobiphenyl 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',6,6'-Hexanitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4',6,6'-Hexanitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.