7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine
TL;DR: 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine (CAS 59820-89-2) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine
Also Known As: 7-ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine, 7-ethyl-5,6-dinitro-2,3-dihydrobenzo[b][1,4]dioxine
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 1.8366 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 527.5895 |
Chemical Identifiers
| CAS Number | 59820-89-2 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1[N+](=O)[O-])[N+](=O)[O-])OCCO2 |
Product Overview
7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine (CAS 59820-89-2), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: 7-ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine
Property Insights of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine
The XLogP value of 1.8366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine. Following Lipinski's Rule of Five, 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine 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 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine?
The CAS number of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine is 59820-89-2.
What is the molecular formula of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine is C10H10N2O6.
What is the molecular weight of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine is 254.05 g/mol.
Where can I buy 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethyl-5,6-dinitro-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.