4,4',6,6'-Tetranitro-2,2'-azoxytoluene
TL;DR: 4,4',6,6'-Tetranitro-2,2'-azoxytoluene (CAS 35212-01-2) is a chemical compound with molecular formula C14H10N6O9 and molecular weight 406.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3,5-dinitrophenyl)-(2-methyl-3,5-dinitrophenyl)imino-oxidoazanium
Also Known As: 4,4',6,6'-Tetranitro-2,2'-azoxytoluene, KST-1B3582, 1,2-Bis(2-methyl-3,5-dinitrophenyl)diazene 1-oxide, Bis(2-methyl-3,5-dinitrophenyl)diazene 1-oxide, 2,2 -NNO-Azoxybis(4,6-dinitrotoluene)
| Molecular Formula | C14H10N6O9 |
|---|---|
| Molecular Weight | 406.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.05093 |
| Heavy Atoms | 29 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 35212-01-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=[N+](C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C)[O-] |
| InChIKey | CSQSPVBKKCHHDS-UHFFFAOYSA-N |
Product Overview
4,4',6,6'-Tetranitro-2,2'-azoxytoluene (CAS 35212-01-2), with molecular formula C14H10N6O9 and molecular weight 406.05 g/mol. IUPAC: (2-methyl-3,5-dinitrophenyl)-(2-methyl-3,5-dinitrophenyl)imino-oxidoazanium.
Chemical Property Profile of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene
Property Insights of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene
The XLogP value of 3.2 indicates that 4,4',6,6'-Tetranitro-2,2'-azoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting 4,4',6,6'-Tetranitro-2,2'-azoxytoluene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4',6,6'-Tetranitro-2,2'-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
Frequently Asked Questions
What is the CAS number of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene?
The CAS number of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene is 35212-01-2.
What is the molecular formula of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene?
The molecular formula of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene is C14H10N6O9.
What is the molecular weight of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene?
The molecular weight of 4,4',6,6'-Tetranitro-2,2'-azoxytoluene is 406.05 g/mol.
Where can I buy 4,4',6,6'-Tetranitro-2,2'-azoxytoluene?
You can request a quote for 4,4',6,6'-Tetranitro-2,2'-azoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',6,6'-Tetranitro-2,2'-azoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 4,4',6,6'-Tetranitro-2,2'-azoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.