Sodium nitrobenzoate
TL;DR: Sodium nitrobenzoate (CAS 28605-72-3) 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 2-nitrobenzoate
Also Known As: Sodium nitrobenzoate, 2-Nitrobenzoic acid sodium salt, sodiumnitrobenzoate, sodium 2-nitrobenzoate, sodium;2-nitrobenzoate
| Molecular Formula | C7H4NNaO4 |
|---|---|
| Molecular Weight | 189.00 g/mol |
| LogP | -3.0377 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.0038 |
| Heavy Atoms | 13 |
| Complexity | 306.01935 |
Chemical Identifiers
| CAS Number | 28605-72-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-].[Na+] |
Product Overview
Sodium nitrobenzoate (CAS 28605-72-3), with molecular formula C7H4NNaO4 and molecular weight 189.00 g/mol. IUPAC: sodium 2-nitrobenzoate.
Chemical Property Profile of Sodium nitrobenzoate
Property Insights of Sodium nitrobenzoate
The XLogP value of -3.0377 indicates that Sodium nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium nitrobenzoate. Following Lipinski's Rule of Five, Sodium 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 nitrobenzoate?
The CAS number of Sodium nitrobenzoate is 28605-72-3.
What is the molecular formula of Sodium nitrobenzoate?
The molecular formula of Sodium nitrobenzoate is C7H4NNaO4.
What is the molecular weight of Sodium nitrobenzoate?
The molecular weight of Sodium nitrobenzoate is 189.00 g/mol.
Where can I buy Sodium nitrobenzoate?
You can request a quote for Sodium nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.