![[5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate structure](/static/products/7472/7472-02-8.webp)
[5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate
TL;DR: [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate (CAS 7472-02-8) is a chemical compound with molecular formula C22H20N4O14 and molecular weight 564.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate
Also Known As: [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate|3,3,6,6-Tetramethyl-1,4-dioxane-2,5-diyl bis(3,5-dinitrobenzoate)
| Molecular Formula | C22H20N4O14 |
|---|---|
| Molecular Weight | 564.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 564.0976 |
| Heavy Atoms | 40 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 7472-02-8 |
|---|---|
| SMILES | CC1(C(OC(C(O1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])(C)C)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | DTOWWNFJRFNZDD-UHFFFAOYSA-N |
Product Overview
[5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate (CAS 7472-02-8), with molecular formula C22H20N4O14 and molecular weight 564.10 g/mol. IUPAC: [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate.
Chemical Property Profile of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate
Property Insights of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate
The XLogP value of 3.7 indicates that [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 254.0 Ų indicates high polarity, suggesting [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate?
The CAS number of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate is 7472-02-8.
What is the molecular formula of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate?
The molecular formula of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate is C22H20N4O14.
What is the molecular weight of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate?
The molecular weight of [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate is 564.10 g/mol.
Where can I buy [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate?
You can request a quote for [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-(3,5-dinitrobenzoyl)oxy-3,3,6,6-tetramethyl-1,4-dioxan-2-yl] 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.