Sodium 4-nitrobenzoate
TL;DR: Sodium 4-nitrobenzoate (CAS 3847-57-2) is a chemical compound with molecular formula C7H4NNaO4 and molecular weight 189.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-nitrobenzoate
Also Known As: Sodium 4-nitrobenzoate, sodium;4-nitrobenzoate, sodium p-nitrobenzoate, 4-Nitrobenzoatesodium, Sodium4-nitrobenzoate
| Molecular Formula | C7H4NNaO4 |
|---|---|
| Molecular Weight | 189.00 g/mol |
| LogP | -3.04 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.0038 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3847-57-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | UFLMJULGUPSTCY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 4-nitrobenzoate (CAS 3847-57-2), with molecular formula C7H4NNaO4 and molecular weight 189.00 g/mol. IUPAC: sodium 4-nitrobenzoate.
Chemical Property Profile of Sodium 4-nitrobenzoate
Property Insights of Sodium 4-nitrobenzoate
The XLogP value of -3.04 indicates that Sodium 4-nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-nitrobenzoate. Following Lipinski's Rule of Five, Sodium 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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-nitrobenzoate?
The CAS number of Sodium 4-nitrobenzoate is 3847-57-2.
What is the molecular formula of Sodium 4-nitrobenzoate?
The molecular formula of Sodium 4-nitrobenzoate is C7H4NNaO4.
What is the molecular weight of Sodium 4-nitrobenzoate?
The molecular weight of Sodium 4-nitrobenzoate is 189.00 g/mol.
Where can I buy Sodium 4-nitrobenzoate?
You can request a quote for Sodium 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.