2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole
TL;DR: 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole (CAS 54186-71-9) is a chemical compound with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5,6-dinitro-1,3-benzodioxole
Also Known As: 2,2-dimethyl-5,6-dinitro-1,3-benzodioxole, 1,3-Benzodioxole, 2,2-dimethyl-5,6-dinitro-, 2,2-dimethyl-5,6-dinitro-benzo[1,3]dioxole, 2,2-Dimethyl-5,6-dinitro-2H-1,3-benzodioxole, AE-562/12222263
| Molecular Formula | C9H8N2O6 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 2.0103 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.03824 |
| Heavy Atoms | 17 |
| Complexity | 479.46252 |
Chemical Identifiers
| CAS Number | 54186-71-9 |
|---|---|
| SMILES | CC1(OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole (CAS 54186-71-9), with molecular formula C9H8N2O6 and molecular weight 240.04 g/mol. IUPAC: 2,2-dimethyl-5,6-dinitro-1,3-benzodioxole.
Chemical Property Profile of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole
Property Insights of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole
The XLogP value of 2.0103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole. Following Lipinski's Rule of Five, 2,2-Dimethyl-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 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole?
The CAS number of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole is 54186-71-9.
What is the molecular formula of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole?
The molecular formula of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole is C9H8N2O6.
What is the molecular weight of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole?
The molecular weight of 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole is 240.04 g/mol.
Where can I buy 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole?
You can request a quote for 2,2-Dimethyl-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 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5,6-dinitro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.