![[2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate structure](/static/products/7702/7702-53-6.webp)
[2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate
TL;DR: [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate (CAS 7702-53-6) is a chemical compound with molecular formula C22H20N4O12 and molecular weight 532.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate
Also Known As: [2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate|(Cyclohexane-1,2-diyl)bis(methylene) bis(3,5-dinitrobenzoate)|[2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dini
| Molecular Formula | C22H20N4O12 |
|---|---|
| Molecular Weight | 532.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1078 |
| Heavy Atoms | 38 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 7702-53-6 |
|---|---|
| SMILES | C1CCC(C(C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ASXABENXVCKEMT-UHFFFAOYSA-N |
Product Overview
[2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate (CAS 7702-53-6), with molecular formula C22H20N4O12 and molecular weight 532.11 g/mol. IUPAC: [2-[(3,5-dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate.
Chemical Property Profile of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate
Property Insights of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate
The XLogP value of 4.7 indicates that [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate?
The CAS number of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate is 7702-53-6.
What is the molecular formula of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate?
The molecular formula of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate is C22H20N4O12.
What is the molecular weight of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate?
The molecular weight of [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate is 532.11 g/mol.
Where can I buy [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate?
You can request a quote for [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 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 [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3,5-Dinitrobenzoyl)oxymethyl]cyclohexyl]methyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.