3,5-Dinitrocatechol
TL;DR: 3,5-Dinitrocatechol (CAS 77400-30-7) 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.
3,5-dinitrobenzene-1,2-diol
Also Known As: 3,5-dinitrocatechol, 3,5-dinitrobenzene-1,2-diol, 3,5-Dinitropyrocatechol, Entacapone EP Impurity E, 3,5-Dinitro-1,2-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 | 415.02792 |
Chemical Identifiers
| CAS Number | 77400-30-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] |
Product Overview
3,5-Dinitrocatechol (CAS 77400-30-7), with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol. IUPAC: 3,5-dinitrobenzene-1,2-diol.
Chemical Property Profile of 3,5-Dinitrocatechol
Property Insights of 3,5-Dinitrocatechol
The XLogP value of 0.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrocatechol. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrocatechol. Following Lipinski's Rule of Five, 3,5-Dinitrocatechol 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 3,5-Dinitrocatechol?
The CAS number of 3,5-Dinitrocatechol is 77400-30-7.
What is the molecular formula of 3,5-Dinitrocatechol?
The molecular formula of 3,5-Dinitrocatechol is C6H4N2O6.
What is the molecular weight of 3,5-Dinitrocatechol?
The molecular weight of 3,5-Dinitrocatechol is 200.01 g/mol.
Where can I buy 3,5-Dinitrocatechol?
You can request a quote for 3,5-Dinitrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.