2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
TL;DR: 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol (CAS 14184-98-6) is a chemical compound with molecular formula C12H4N6O14 and molecular weight 455.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenol
Also Known As: 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol, 2,2',4,4',6,6'-hexanitro[1,1'-biphenyl]-3,3'-diol, 2,2',4,4',6,6'-hexanitrobiphenyl-3,3'-diol, 3-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenol, (1,1'-Biphenyl)-3,3'-diol, 2,2',4,4',6,6'-hexanitro-
| Molecular Formula | C12H4N6O14 |
|---|---|
| Molecular Weight | 455.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 1 |
| Exact Mass | 455.97855 |
| Heavy Atoms | 32 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 14184-98-6 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ZGEXBICQPGHLKE-UHFFFAOYSA-N |
Product Overview
2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol (CAS 14184-98-6), with molecular formula C12H4N6O14 and molecular weight 455.98 g/mol. IUPAC: 3-(3-hydroxy-2,4,6-trinitrophenyl)-2,4,6-trinitrophenol.
Chemical Property Profile of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
Property Insights of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol. The TPSA of 315.0 Ų indicates high polarity, suggesting 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol has 2 hydrogen bond donor(s) and 14 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'-Hexanitro(1,1'-biphenyl)-3,3'-diol?
The CAS number of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol is 14184-98-6.
What is the molecular formula of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol?
The molecular formula of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol is C12H4N6O14.
What is the molecular weight of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol?
The molecular weight of 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol is 455.98 g/mol.
Where can I buy 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol?
You can request a quote for 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol 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'-Hexanitro(1,1'-biphenyl)-3,3'-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.