1,2-Benzenediol, 3,6-dinitro-
TL;DR: 1,2-Benzenediol, 3,6-dinitro- (CAS 53816-91-4) 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.
3,6-dinitrobenzene-1,2-diol
Also Known As: 3,6-Dinitropyrocatechol, 1,2-Benzenediol, 3,6-dinitro-, 3,6-Dinitrocatechol, 3,6-dinitrobenzene-1,2-diol, 3,6-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 | 376.02792 |
Chemical Identifiers
| CAS Number | 53816-91-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-] |
Product Overview
1,2-Benzenediol, 3,6-dinitro- (CAS 53816-91-4), with molecular formula C6H4N2O6 and molecular weight 200.01 g/mol. IUPAC: 3,6-dinitrobenzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 3,6-dinitro-
Property Insights of 1,2-Benzenediol, 3,6-dinitro-
The XLogP value of 0.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 3,6-dinitro-. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 3,6-dinitro-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3,6-dinitro- 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 1,2-Benzenediol, 3,6-dinitro-?
The CAS number of 1,2-Benzenediol, 3,6-dinitro- is 53816-91-4.
What is the molecular formula of 1,2-Benzenediol, 3,6-dinitro-?
The molecular formula of 1,2-Benzenediol, 3,6-dinitro- is C6H4N2O6.
What is the molecular weight of 1,2-Benzenediol, 3,6-dinitro-?
The molecular weight of 1,2-Benzenediol, 3,6-dinitro- is 200.01 g/mol.
Where can I buy 1,2-Benzenediol, 3,6-dinitro-?
You can request a quote for 1,2-Benzenediol, 3,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.