![3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol structure](/static/products/2563/2563856-72-2.webp)
3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol
TL;DR: 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol (CAS 2563856-72-2) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]-5,5'-diol
Also Known As: 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol, J1.333.949J, 1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[indane]-5,5'-diol, 1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]-5,5'-diol, 3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dinitro-6,6'-diol
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 2563856-72-2 |
|---|---|
| SMILES | CC1(CC2(CC(C3=CC(=C(C=C32)O)[N+](=O)[O-])(C)C)C4=CC(=C(C=C41)[N+](=O)[O-])O)C |
| InChIKey | ZHJVMMFKPYUQIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol (CAS 2563856-72-2), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: 1,1,1',1'-tetramethyl-6,6'-dinitro-3,3'-spirobi[2H-indene]-5,5'-diol.
Chemical Property Profile of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol
Property Insights of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol
The XLogP value of 6.6 indicates that 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol. Following Lipinski's Rule of Five, 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol?
The CAS number of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol is 2563856-72-2.
What is the molecular formula of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol?
The molecular formula of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol is C21H22N2O6.
What is the molecular weight of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol?
The molecular weight of 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol is 398.15 g/mol.
Where can I buy 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol?
You can request a quote for 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3',3'-tetramethyl-5,5'-dinitro-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.