2,6-Dinitrobenzene-1,4-diol
TL;DR: 2,6-Dinitrobenzene-1,4-diol (CAS 13985-45-0) is a chemical compound with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitrobenzene-1,4-diol
Also Known As: 2,6-dinitrohydroquinone, 2,6-dinitrobenzene-1,4-diol, 2,6-Dinitro-hydrochinon, 4-hydroxy-3,5-dinitrophenol, 2,6-dinitro-1,4-benzenediol
| Molecular Formula | C6H4N2O6 |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 0.9142 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.00694 |
| Heavy Atoms | 14 |
| Complexity | 379.77792 |
Chemical Identifiers
| CAS Number | 13985-45-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O |
Product Overview
2,6-Dinitrobenzene-1,4-diol (CAS 13985-45-0), with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol. IUPAC: 2,6-dinitrobenzene-1,4-diol.
Chemical Property Profile of 2,6-Dinitrobenzene-1,4-diol
Property Insights of 2,6-Dinitrobenzene-1,4-diol
The XLogP value of 0.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dinitrobenzene-1,4-diol. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dinitrobenzene-1,4-diol. Following Lipinski's Rule of Five, 2,6-Dinitrobenzene-1,4-diol has 2 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 2,6-Dinitrobenzene-1,4-diol?
The CAS number of 2,6-Dinitrobenzene-1,4-diol is 13985-45-0.
What is the molecular formula of 2,6-Dinitrobenzene-1,4-diol?
The molecular formula of 2,6-Dinitrobenzene-1,4-diol is C6H4N2O6.
What is the molecular weight of 2,6-Dinitrobenzene-1,4-diol?
The molecular weight of 2,6-Dinitrobenzene-1,4-diol is 200.01 g/mol.
Where can I buy 2,6-Dinitrobenzene-1,4-diol?
You can request a quote for 2,6-Dinitrobenzene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dinitrobenzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dinitrobenzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.