5,6-Dinitro-1,3-benzodioxole
TL;DR: 5,6-Dinitro-1,3-benzodioxole (CAS 7748-59-6) is a chemical compound with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitro-1,3-benzodioxole
Also Known As: 5,6-Dinitro-1,3-benzodioxole, 1,2-DINITRO-4,5-METHYLENEDIOXYBENZENE, 5,6-dinitro-2H-1,3-benzodioxole, 1,3-Benzodioxole, 5,6-dinitro-, 5,6-dinitrobenzo[d][1,3]dioxole
| Molecular Formula | C7H4N2O6 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.00694 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 7748-59-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KAKKXKBQUBETST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dinitro-1,3-benzodioxole (CAS 7748-59-6), with molecular formula C7H4N2O6 and molecular weight 212.01 g/mol. IUPAC: 5,6-dinitro-1,3-benzodioxole.
Chemical Property Profile of 5,6-Dinitro-1,3-benzodioxole
Property Insights of 5,6-Dinitro-1,3-benzodioxole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dinitro-1,3-benzodioxole. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dinitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 5,6-Dinitro-1,3-benzodioxole 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 5,6-Dinitro-1,3-benzodioxole?
The CAS number of 5,6-Dinitro-1,3-benzodioxole is 7748-59-6.
What is the molecular formula of 5,6-Dinitro-1,3-benzodioxole?
The molecular formula of 5,6-Dinitro-1,3-benzodioxole is C7H4N2O6.
What is the molecular weight of 5,6-Dinitro-1,3-benzodioxole?
The molecular weight of 5,6-Dinitro-1,3-benzodioxole is 212.01 g/mol.
Where can I buy 5,6-Dinitro-1,3-benzodioxole?
You can request a quote for 5,6-Dinitro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dinitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dinitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.