Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-
TL;DR: Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- (CAS 68959-39-7) is a chemical compound with molecular formula C18H27N3O9 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tris[(2-methylpropan-2-yl)oxy]-2,4,6-trinitrobenzene
Also Known As: 1,3,5-Tri-t-butoxy-2,4,6-trinitrobenzene, 1,3,5-Tri-tert-butoxy-2,4,6-trinitrobenzene, Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-, 1,3,5-tris(tert-butoxy)-2,4,6-trinitrobenzene, 1,3,5-Tris(1,1-dimethylethoxy)-2,4,6-trinitrobenzene
| Molecular Formula | C18H27N3O9 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.17474 |
| Heavy Atoms | 30 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 68959-39-7 |
|---|---|
| SMILES | CC(C)(C)OC1=C(C(=C(C(=C1[N+](=O)[O-])OC(C)(C)C)[N+](=O)[O-])OC(C)(C)C)[N+](=O)[O-] |
| InChIKey | YAAPNNQLHAUDIQ-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- (CAS 68959-39-7), with molecular formula C18H27N3O9 and molecular weight 429.17 g/mol. IUPAC: 1,3,5-tris[(2-methylpropan-2-yl)oxy]-2,4,6-trinitrobenzene.
Chemical Property Profile of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-
Property Insights of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-
The XLogP value of 4.3 indicates that Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- has 0 hydrogen bond donor(s) and 9 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 Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-?
The CAS number of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- is 68959-39-7.
What is the molecular formula of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-?
The molecular formula of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- is C18H27N3O9.
What is the molecular weight of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-?
The molecular weight of Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- is 429.17 g/mol.
Where can I buy Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-?
You can request a quote for Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3,5-tris(1,1-dimethylethoxy)-2,4,6-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.