2,2',6,6'-Tetranitro-4,4'-azoxytoluene
TL;DR: 2,2',6,6'-Tetranitro-4,4'-azoxytoluene (CAS 51857-25-1) is a chemical compound with molecular formula C14H10N6O9 and molecular weight 406.05093 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-3,5-dinitrophenyl)-(4-methyl-3,5-dinitrophenyl)imino-oxidoazanium
Also Known As: 2,2',6,6'-Tetranitro-4,4'-azoxytoluene, KST-1B4893, 1,2-Bis(4-methyl-3,5-dinitrophenyl)diazene 1-oxide, 4,4 -NNO-Azoxybis(2,6-dinitrotoluene), Bis(4-methyl-3,5-dinitrophenyl)diazene 1-oxide
Technical Specifications
| Molecular Formula | C14H10N6O9 |
| Molecular Weight | 406.05093 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.05093 Da |
| Heavy Atoms | 29 |
| Complexity | 660.0 |
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])N=[N+](C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])[O-])[N+](=O)[O-] |
| InChIKey | JZBHIQAXJAFHNP-UHFFFAOYSA-N |
Chemical Property Profile of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene
Property Insights of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene
The XLogP value of 3.2 indicates that 2,2',6,6'-Tetranitro-4,4'-azoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting 2,2',6,6'-Tetranitro-4,4'-azoxytoluene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',6,6'-Tetranitro-4,4'-azoxytoluene has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene?
The CAS number of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene is 51857-25-1.
What is the molecular formula of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene?
The molecular formula of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene is C14H10N6O9.
What is the molecular weight of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene?
The molecular weight of 2,2',6,6'-Tetranitro-4,4'-azoxytoluene is 406.05093 g/mol.
Where can I buy 2,2',6,6'-Tetranitro-4,4'-azoxytoluene?
You can request a quote for 2,2',6,6'-Tetranitro-4,4'-azoxytoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2',6,6'-Tetranitro-4,4'-azoxytoluene?
Yes, CoreyChem provides custom synthesis services for 2,2',6,6'-Tetranitro-4,4'-azoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.