4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone
TL;DR: 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone (CAS 75083-39-5) is a chemical compound with molecular formula C28H12N2O8 and molecular weight 504.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(4-nitro-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Also Known As: 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone, 4,4 -Dinitro-1,1 -bianthraquinone, [1,1'-Bianthracene]-9,9',10,10'-tetrone, 4,4'-dinitro-, 4,4'-Dinitro[1,1'-bianthracene]-9,9',10,10'-tetrone, 4,4 -Dinitro-1,1 -bianthracene-9,9 ,10,10 -tetrone
| Molecular Formula | C28H12N2O8 |
|---|---|
| Molecular Weight | 504.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 504.05936 |
| Heavy Atoms | 38 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 75083-39-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])C4=C5C(=C(C=C4)[N+](=O)[O-])C(=O)C6=CC=CC=C6C5=O |
| InChIKey | JDEGIOSMWKXOIH-UHFFFAOYSA-N |
Product Overview
4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone (CAS 75083-39-5), with molecular formula C28H12N2O8 and molecular weight 504.06 g/mol. IUPAC: 1-nitro-4-(4-nitro-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione.
Chemical Property Profile of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone
Property Insights of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone
The XLogP value of 5.1 indicates that 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone?
The CAS number of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone is 75083-39-5.
What is the molecular formula of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone?
The molecular formula of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone is C28H12N2O8.
What is the molecular weight of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone?
The molecular weight of 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone is 504.06 g/mol.
Where can I buy 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone?
You can request a quote for 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dinitro-1,1'-bianthracene-9,9',10,10'-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.