Sodium 5-(acetylamino)-2-nitrobenzoate
TL;DR: Sodium 5-(acetylamino)-2-nitrobenzoate (CAS 79817-51-9) is a chemical compound with molecular formula C9H7N2NaO5 and molecular weight 246.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-acetamido-2-nitrobenzoate
Also Known As: sodium5- -2-nitrobenzoate, Sodium 5-(acetylamino)-2-nitrobenzoate, EINECS 279-281-9, sodium 5-acetamido-2-nitrobenzoate, sodium,5-acetamido-2-nitrobenzoate
| Molecular Formula | C9H7N2NaO5 |
|---|---|
| Molecular Weight | 246.03 g/mol |
| LogP | -3.0793 |
| Topological Polar Surface Area | 112.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.02527 |
| Heavy Atoms | 17 |
| Complexity | 474.45407 |
Chemical Identifiers
| CAS Number | 79817-51-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-].[Na+] |
Product Overview
Sodium 5-(acetylamino)-2-nitrobenzoate (CAS 79817-51-9), with molecular formula C9H7N2NaO5 and molecular weight 246.03 g/mol. IUPAC: sodium 5-acetamido-2-nitrobenzoate.
Chemical Property Profile of Sodium 5-(acetylamino)-2-nitrobenzoate
Property Insights of Sodium 5-(acetylamino)-2-nitrobenzoate
The XLogP value of -3.0793 indicates that Sodium 5-(acetylamino)-2-nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 5-(acetylamino)-2-nitrobenzoate. Following Lipinski's Rule of Five, Sodium 5-(acetylamino)-2-nitrobenzoate has 1 hydrogen bond donor(s) and 5 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-(acetylamino)-2-nitrobenzoate?
The CAS number of Sodium 5-(acetylamino)-2-nitrobenzoate is 79817-51-9.
What is the molecular formula of Sodium 5-(acetylamino)-2-nitrobenzoate?
The molecular formula of Sodium 5-(acetylamino)-2-nitrobenzoate is C9H7N2NaO5.
What is the molecular weight of Sodium 5-(acetylamino)-2-nitrobenzoate?
The molecular weight of Sodium 5-(acetylamino)-2-nitrobenzoate is 246.03 g/mol.
Where can I buy Sodium 5-(acetylamino)-2-nitrobenzoate?
You can request a quote for Sodium 5-(acetylamino)-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 5-(acetylamino)-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 5-(acetylamino)-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.