Sodium 2-nitrophenolate
TL;DR: Sodium 2-nitrophenolate (CAS 824-39-5) is a chemical compound with molecular formula C6H4NNaO3 and molecular weight 161.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-nitrophenolate
Also Known As: Sodium 2-nitrophenolate, 2-Nitrophenol Sodium Salt, Sodium o-nitrophenolate, Sodium 2-nitrophenoxide, sodium;2-nitrophenolate
| Molecular Formula | C6H4NNaO3 |
|---|---|
| Molecular Weight | 161.01 g/mol |
| LogP | -2.33 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.00888 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 824-39-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+] |
| InChIKey | AXKBOWBNOCUNJL-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 2-nitrophenolate (CAS 824-39-5), with molecular formula C6H4NNaO3 and molecular weight 161.01 g/mol. IUPAC: sodium 2-nitrophenolate.
Chemical Property Profile of Sodium 2-nitrophenolate
Property Insights of Sodium 2-nitrophenolate
The XLogP value of -2.33 indicates that Sodium 2-nitrophenolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 2-nitrophenolate. Following Lipinski's Rule of Five, Sodium 2-nitrophenolate has 0 hydrogen bond donor(s) and 3 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 2-nitrophenolate?
The CAS number of Sodium 2-nitrophenolate is 824-39-5.
What is the molecular formula of Sodium 2-nitrophenolate?
The molecular formula of Sodium 2-nitrophenolate is C6H4NNaO3.
What is the molecular weight of Sodium 2-nitrophenolate?
The molecular weight of Sodium 2-nitrophenolate is 161.01 g/mol.
Where can I buy Sodium 2-nitrophenolate?
You can request a quote for Sodium 2-nitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 2-nitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 2-nitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.