1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
TL;DR: 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene (CAS 40572-21-2) is a chemical compound with molecular formula C22H36N2O4 and molecular weight 392.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
Also Known As: 1,3,5-Tris -2-methyl-4,6-dinitrobenzene, 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene, 1-Methyl-2,4,6-trineopentyl-3,5-dinitrobenzene, 1-Methyl-2,4,6-trineopentyl-3,5-dinitrobenzene #, Benzene, 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitro-
| Molecular Formula | C22H36N2O4 |
|---|---|
| Molecular Weight | 392.27 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.26752 |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 40572-21-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CC(C)(C)C)[N+](=O)[O-])CC(C)(C)C)[N+](=O)[O-])CC(C)(C)C |
| InChIKey | AAPDWIHTJOYECL-UHFFFAOYSA-N |
Product Overview
1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene (CAS 40572-21-2), with molecular formula C22H36N2O4 and molecular weight 392.27 g/mol. IUPAC: 1,3,5-tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene.
Chemical Property Profile of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
Property Insights of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene
The XLogP value of 7.9 indicates that 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene. Following Lipinski's Rule of Five, 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene?
The CAS number of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene is 40572-21-2.
What is the molecular formula of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene?
The molecular formula of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene is C22H36N2O4.
What is the molecular weight of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene?
The molecular weight of 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene is 392.27 g/mol.
Where can I buy 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene?
You can request a quote for 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Tris(2,2-dimethylpropyl)-2-methyl-4,6-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.