4,6-Dinitropyrogallol
TL;DR: 4,6-Dinitropyrogallol (CAS 3264-71-9) is a chemical compound with molecular formula C6H4N2O7 and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitrobenzene-1,2,3-triol
Also Known As: 4,6-Dinitropyrogallol, 4,6-dinitrobenzene-1,2,3-triol, 4,6-dinitro-1,2,3-benzenetriol, 1,2,3-Benzenetriol,4,6-dinitro-, 3-AMINO-3-(3-HYDROXY-4-NITRO-PHENYL)-PROPIONICACID
| Molecular Formula | C6H4N2O7 |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 0.6198 |
| Topological Polar Surface Area | 146.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00185 |
| Heavy Atoms | 15 |
| Complexity | 417.0339 |
Chemical Identifiers
| CAS Number | 3264-71-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])O)O)O)[N+](=O)[O-] |
Product Overview
4,6-Dinitropyrogallol (CAS 3264-71-9), with molecular formula C6H4N2O7 and molecular weight 216.00 g/mol. IUPAC: 4,6-dinitrobenzene-1,2,3-triol.
Chemical Property Profile of 4,6-Dinitropyrogallol
Property Insights of 4,6-Dinitropyrogallol
The XLogP value of 0.6198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dinitropyrogallol. The TPSA of 146.97 Ų indicates high polarity, suggesting 4,6-Dinitropyrogallol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Dinitropyrogallol has 3 hydrogen bond donor(s) and 7 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-Dinitropyrogallol?
The CAS number of 4,6-Dinitropyrogallol is 3264-71-9.
What is the molecular formula of 4,6-Dinitropyrogallol?
The molecular formula of 4,6-Dinitropyrogallol is C6H4N2O7.
What is the molecular weight of 4,6-Dinitropyrogallol?
The molecular weight of 4,6-Dinitropyrogallol is 216.00 g/mol.
Where can I buy 4,6-Dinitropyrogallol?
You can request a quote for 4,6-Dinitropyrogallol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dinitropyrogallol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dinitropyrogallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.