Sodium 4-nitro-m-cresolate
TL;DR: Sodium 4-nitro-m-cresolate (CAS 2666-76-4) is a chemical compound with molecular formula C7H8NNaO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;hydride;3-methyl-4-nitrophenol
Also Known As: Sodium 4-nitro-m-cresolate, 4-Nitro-3-cresol, EINECS 220-204-5, Sodium 3-methyl-4-nitrophenolate
| Molecular Formula | C7H8NNaO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | -1.27468 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04019 |
| Heavy Atoms | 12 |
| Complexity | 305.78918 |
Chemical Identifiers
| CAS Number | 2666-76-4 |
|---|---|
| SMILES | [H-].CC1=C(C=CC(=C1)O)[N+](=O)[O-].[Na+] |
Product Overview
Sodium 4-nitro-m-cresolate (CAS 2666-76-4), with molecular formula C7H8NNaO3 and molecular weight 177.04 g/mol. IUPAC: sodium;hydride;3-methyl-4-nitrophenol.
Chemical Property Profile of Sodium 4-nitro-m-cresolate
Property Insights of Sodium 4-nitro-m-cresolate
The XLogP value of -1.27468 indicates that Sodium 4-nitro-m-cresolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4-nitro-m-cresolate. Following Lipinski's Rule of Five, Sodium 4-nitro-m-cresolate has 1 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 4-nitro-m-cresolate?
The CAS number of Sodium 4-nitro-m-cresolate is 2666-76-4.
What is the molecular formula of Sodium 4-nitro-m-cresolate?
The molecular formula of Sodium 4-nitro-m-cresolate is C7H8NNaO3.
What is the molecular weight of Sodium 4-nitro-m-cresolate?
The molecular weight of Sodium 4-nitro-m-cresolate is 177.04 g/mol.
Where can I buy Sodium 4-nitro-m-cresolate?
You can request a quote for Sodium 4-nitro-m-cresolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-nitro-m-cresolate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-nitro-m-cresolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.