Sodium trinitrobenzenesulphonate
TL;DR: Sodium trinitrobenzenesulphonate (CAS 5400-70-4) is a chemical compound with molecular formula C6H2N3NaO9S and molecular weight 314.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,4,6-trinitrobenzenesulfonate
Also Known As: Sodium Picrylsulfonate, Sodium trinitrobenzenesulphonate, sodium 2,4,6-trinitrobenzenesulfonate, Picrylsulfonic Acid Sodium Salt, sodium;2,4,6-trinitrobenzenesulfonate
| Molecular Formula | C6H2N3NaO9S |
|---|---|
| Molecular Weight | 314.94 g/mol |
| LogP | -2.6807 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.94095 |
| Heavy Atoms | 20 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 5400-70-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | NCGJACBPALRHNG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium trinitrobenzenesulphonate (CAS 5400-70-4), with molecular formula C6H2N3NaO9S and molecular weight 314.94 g/mol. IUPAC: sodium 2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of Sodium trinitrobenzenesulphonate
Property Insights of Sodium trinitrobenzenesulphonate
The XLogP value of -2.6807 indicates that Sodium trinitrobenzenesulphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting Sodium trinitrobenzenesulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium trinitrobenzenesulphonate has 0 hydrogen bond donor(s) and 9 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 Sodium trinitrobenzenesulphonate?
The CAS number of Sodium trinitrobenzenesulphonate is 5400-70-4.
What is the molecular formula of Sodium trinitrobenzenesulphonate?
The molecular formula of Sodium trinitrobenzenesulphonate is C6H2N3NaO9S.
What is the molecular weight of Sodium trinitrobenzenesulphonate?
The molecular weight of Sodium trinitrobenzenesulphonate is 314.94 g/mol.
Where can I buy Sodium trinitrobenzenesulphonate?
You can request a quote for Sodium trinitrobenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium trinitrobenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium trinitrobenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.