Sodium 5-nitroguaiacolate
TL;DR: Sodium 5-nitroguaiacolate (CAS 67233-85-6) is a chemical compound with molecular formula C7H6NNaO4 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-methoxy-5-nitrophenolate
Also Known As: Sodium 2-methoxy-5-nitrophenolate, Sodium 5-nitroguaiacolate, Atonik, 5-Nitroguaiacol sodium salt, Atonik G
| Molecular Formula | C7H6NNaO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | -2.319 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.01945 |
| Heavy Atoms | 13 |
| Complexity | 315.3609 |
Chemical Identifiers
| CAS Number | 67233-85-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+] |
Product Overview
Sodium 5-nitroguaiacolate (CAS 67233-85-6), with molecular formula C7H6NNaO4 and molecular weight 191.02 g/mol. IUPAC: sodium 2-methoxy-5-nitrophenolate.
Chemical Property Profile of Sodium 5-nitroguaiacolate
Property Insights of Sodium 5-nitroguaiacolate
The XLogP value of -2.319 indicates that Sodium 5-nitroguaiacolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 5-nitroguaiacolate. Following Lipinski's Rule of Five, Sodium 5-nitroguaiacolate 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 5-nitroguaiacolate?
The CAS number of Sodium 5-nitroguaiacolate is 67233-85-6.
What is the molecular formula of Sodium 5-nitroguaiacolate?
The molecular formula of Sodium 5-nitroguaiacolate is C7H6NNaO4.
What is the molecular weight of Sodium 5-nitroguaiacolate?
The molecular weight of Sodium 5-nitroguaiacolate is 191.02 g/mol.
Where can I buy Sodium 5-nitroguaiacolate?
You can request a quote for Sodium 5-nitroguaiacolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 5-nitroguaiacolate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 5-nitroguaiacolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.