4,6-Dinitroresorcinol
TL;DR: 4,6-Dinitroresorcinol (CAS 616-74-0) 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.
4,6-dinitrobenzene-1,3-diol
Also Known As: 4,6-Dinitroresorcinol, 4,6-dinitrobenzene-1,3-diol, null, Dinitroresorcin, 4,6-dinitroresorcin
| Molecular Formula | C6H4N2O6 |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.00694 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 616-74-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] |
| InChIKey | MBXIRNHACKAGPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dinitroresorcinol (CAS 616-74-0), with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol. IUPAC: 4,6-dinitrobenzene-1,3-diol.
Chemical Property Profile of 4,6-Dinitroresorcinol
Property Insights of 4,6-Dinitroresorcinol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dinitroresorcinol. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dinitroresorcinol. Following Lipinski's Rule of Five, 4,6-Dinitroresorcinol 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 4,6-Dinitroresorcinol?
The CAS number of 4,6-Dinitroresorcinol is 616-74-0.
What is the molecular formula of 4,6-Dinitroresorcinol?
The molecular formula of 4,6-Dinitroresorcinol is C6H4N2O6.
What is the molecular weight of 4,6-Dinitroresorcinol?
The molecular weight of 4,6-Dinitroresorcinol is 200.01 g/mol.
Where can I buy 4,6-Dinitroresorcinol?
You can request a quote for 4,6-Dinitroresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dinitroresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dinitroresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.