3,5-Dinitrobenzenesulfonic acid
TL;DR: 3,5-Dinitrobenzenesulfonic acid (CAS 28084-45-9) is a chemical compound with molecular formula C6H4N2O7S and molecular weight 247.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitrobenzenesulfonic acid
Also Known As: 3,5-dinitrobenzenesulfonic acid, 3,5-Dinitrobenzenesulfonicacid, 3,5-dinitro-benzenesulfonic acid, 2-METHOXYPHENYLZINCIODIDE0.5M
| Molecular Formula | C6H4N2O7S |
|---|---|
| Molecular Weight | 247.97 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.97392 |
| Heavy Atoms | 16 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 28084-45-9 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | JWSNVFJCKKXKRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dinitrobenzenesulfonic acid (CAS 28084-45-9), with molecular formula C6H4N2O7S and molecular weight 247.97 g/mol. IUPAC: 3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 3,5-Dinitrobenzenesulfonic acid
Property Insights of 3,5-Dinitrobenzenesulfonic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrobenzenesulfonic acid. The TPSA of 154.0 Ų indicates high polarity, suggesting 3,5-Dinitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitrobenzenesulfonic acid has 1 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 3,5-Dinitrobenzenesulfonic acid?
The CAS number of 3,5-Dinitrobenzenesulfonic acid is 28084-45-9.
What is the molecular formula of 3,5-Dinitrobenzenesulfonic acid?
The molecular formula of 3,5-Dinitrobenzenesulfonic acid is C6H4N2O7S.
What is the molecular weight of 3,5-Dinitrobenzenesulfonic acid?
The molecular weight of 3,5-Dinitrobenzenesulfonic acid is 247.97 g/mol.
Where can I buy 3,5-Dinitrobenzenesulfonic acid?
You can request a quote for 3,5-Dinitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.