4-Chloro-2,6-dinitrobenzene-1,3-diol
TL;DR: 4-Chloro-2,6-dinitrobenzene-1,3-diol (CAS 58774-06-4) is a chemical compound with molecular formula C6H3ClN2O6 and molecular weight 233.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,6-dinitrobenzene-1,3-diol
Also Known As: 4-chloro-2,6-dinitrobenzene-1,3-diol, 4-chloro-2,6-dinitro-resorcinol, 4-chloro-2,6-dinitro-benzene-1,3-diol
| Molecular Formula | C6H3ClN2O6 |
|---|---|
| Molecular Weight | 233.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.96796 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 58774-06-4 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)O)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | HTKKXNRVIKBCRZ-UHFFFAOYSA-N |
Product Overview
4-Chloro-2,6-dinitrobenzene-1,3-diol (CAS 58774-06-4), with molecular formula C6H3ClN2O6 and molecular weight 233.97 g/mol. IUPAC: 4-chloro-2,6-dinitrobenzene-1,3-diol.
Chemical Property Profile of 4-Chloro-2,6-dinitrobenzene-1,3-diol
Property Insights of 4-Chloro-2,6-dinitrobenzene-1,3-diol
The XLogP value of 3.3 indicates that 4-Chloro-2,6-dinitrobenzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2,6-dinitrobenzene-1,3-diol. Following Lipinski's Rule of Five, 4-Chloro-2,6-dinitrobenzene-1,3-diol 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-Chloro-2,6-dinitrobenzene-1,3-diol?
The CAS number of 4-Chloro-2,6-dinitrobenzene-1,3-diol is 58774-06-4.
What is the molecular formula of 4-Chloro-2,6-dinitrobenzene-1,3-diol?
The molecular formula of 4-Chloro-2,6-dinitrobenzene-1,3-diol is C6H3ClN2O6.
What is the molecular weight of 4-Chloro-2,6-dinitrobenzene-1,3-diol?
The molecular weight of 4-Chloro-2,6-dinitrobenzene-1,3-diol is 233.97 g/mol.
Where can I buy 4-Chloro-2,6-dinitrobenzene-1,3-diol?
You can request a quote for 4-Chloro-2,6-dinitrobenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,6-dinitrobenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,6-dinitrobenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.