Sodium 4-amino-3-nitrobenzenesulfonate
TL;DR: Sodium 4-amino-3-nitrobenzenesulfonate (CAS 5451-82-1) is a chemical compound with molecular formula C6H5N2NaO5S and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-amino-3-nitrobenzenesulfonate
Also Known As: Sodium 4-Amino-3-nitrobenzenesulfonate, Sodium 3-nitrosulphanilate, 2-Nitroaniline-4-sulfonic Acid Sodium Salt, Sodium 2-Nitroaniline-4-sulfonate, sodium;4-amino-3-nitrobenzenesulfonate
| Molecular Formula | C6H5N2NaO5S |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | -2.9149 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.98169 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 5451-82-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])N.[Na+] |
| InChIKey | SXTOGAIYFMTUAD-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 4-amino-3-nitrobenzenesulfonate (CAS 5451-82-1), with molecular formula C6H5N2NaO5S and molecular weight 239.98 g/mol. IUPAC: sodium 4-amino-3-nitrobenzenesulfonate.
Chemical Property Profile of Sodium 4-amino-3-nitrobenzenesulfonate
Property Insights of Sodium 4-amino-3-nitrobenzenesulfonate
The XLogP value of -2.9149 indicates that Sodium 4-amino-3-nitrobenzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-amino-3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, Sodium 4-amino-3-nitrobenzenesulfonate has 1 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 Sodium 4-amino-3-nitrobenzenesulfonate?
The CAS number of Sodium 4-amino-3-nitrobenzenesulfonate is 5451-82-1.
What is the molecular formula of Sodium 4-amino-3-nitrobenzenesulfonate?
The molecular formula of Sodium 4-amino-3-nitrobenzenesulfonate is C6H5N2NaO5S.
What is the molecular weight of Sodium 4-amino-3-nitrobenzenesulfonate?
The molecular weight of Sodium 4-amino-3-nitrobenzenesulfonate is 239.98 g/mol.
Where can I buy Sodium 4-amino-3-nitrobenzenesulfonate?
You can request a quote for Sodium 4-amino-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 4-amino-3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-amino-3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.