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Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate
TL;DR: Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate (CAS 7236-23-9) is a chemical compound with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bicyclo[4.2.0]octanyl 3,5-dinitrobenzoate
Also Known As: Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate, 1-bicyclo[4.2.0]octyl 3,5-dinitrobenzoate, 6-bicyclo[4.2.0]octanyl 3,5-dinitrobenzoate
| Molecular Formula | C15H16N2O6 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.3826 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10083 |
| Heavy Atoms | 23 |
| Complexity | 656.29474 |
Chemical Identifiers
| CAS Number | 7236-23-9 |
|---|---|
| SMILES | C1CCC2(CCC2C1)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate (CAS 7236-23-9), with molecular formula C15H16N2O6 and molecular weight 320.10 g/mol. IUPAC: 1-bicyclo[4.2.0]octanyl 3,5-dinitrobenzoate.
Chemical Property Profile of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate
Property Insights of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate
The XLogP value of 3.3826 indicates that Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 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 Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate?
The CAS number of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate is 7236-23-9.
What is the molecular formula of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate?
The molecular formula of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate is C15H16N2O6.
What is the molecular weight of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate?
The molecular weight of Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate is 320.10 g/mol.
Where can I buy Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate?
You can request a quote for Bicyclo[4.2.0]octan-1-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 Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.2.0]octan-1-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.