2,4-Dinitroresorcinol
TL;DR: 2,4-Dinitroresorcinol (CAS 519-44-8) 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.
2,4-dinitrobenzene-1,3-diol
Also Known As: 2,4-DINITRORESORCINOL, dinitroresorcinol, 2,4-dinitrobenzene-1,3-diol, 2,4-Dinitro-1,3-benzenediol, Resorcinol,4-dinitro-
| Molecular Formula | C6H4N2O6 |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.1 |
| 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 | 246.0 |
| Vapor Pressure | 0.00000019 [mmHg] |
Chemical Identifiers
| CAS Number | 519-44-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O |
| InChIKey | LQCKFXAPVKCRRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitroresorcinol (CAS 519-44-8), with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol. IUPAC: 2,4-dinitrobenzene-1,3-diol.
Chemical Property Profile of 2,4-Dinitroresorcinol
Property Insights of 2,4-Dinitroresorcinol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dinitroresorcinol. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitroresorcinol. Following Lipinski's Rule of Five, 2,4-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 2,4-Dinitroresorcinol?
The CAS number of 2,4-Dinitroresorcinol is 519-44-8.
What is the molecular formula of 2,4-Dinitroresorcinol?
The molecular formula of 2,4-Dinitroresorcinol is C6H4N2O6.
What is the molecular weight of 2,4-Dinitroresorcinol?
The molecular weight of 2,4-Dinitroresorcinol is 200.01 g/mol.
Where can I buy 2,4-Dinitroresorcinol?
You can request a quote for 2,4-Dinitroresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitroresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitroresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.