Sodium 3-nitrobenzenesulfonate
TL;DR: Sodium 3-nitrobenzenesulfonate (CAS 127-68-4) is a chemical compound with molecular formula C6H4NNaO5S and molecular weight 224.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-nitrobenzenesulfonate
Also Known As: SODIUM 3-NITROBENZENESULFONATE, Ludigol, Nacan, Sodium 3-nitrobenzenesulphonate, Tiskan
| Molecular Formula | C6H4NNaO5S |
|---|---|
| Molecular Weight | 224.97 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.9708 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
| Melting Point | 350 °C |
Chemical Identifiers
| CAS Number | 127-68-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | LJRGBERXYNQPJI-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 3-nitrobenzenesulfonate (CAS 127-68-4), with molecular formula C6H4NNaO5S and molecular weight 224.97 g/mol. IUPAC: sodium 3-nitrobenzenesulfonate.
Chemical Property Profile of Sodium 3-nitrobenzenesulfonate
Property Insights of Sodium 3-nitrobenzenesulfonate
The XLogP value of -2.5 indicates that Sodium 3-nitrobenzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, Sodium 3-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 3-nitrobenzenesulfonate?
The CAS number of Sodium 3-nitrobenzenesulfonate is 127-68-4.
What is the molecular formula of Sodium 3-nitrobenzenesulfonate?
The molecular formula of Sodium 3-nitrobenzenesulfonate is C6H4NNaO5S.
What is the molecular weight of Sodium 3-nitrobenzenesulfonate?
The molecular weight of Sodium 3-nitrobenzenesulfonate is 224.97 g/mol.
Where can I buy Sodium 3-nitrobenzenesulfonate?
You can request a quote for Sodium 3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.