5-Methoxy-2-nitrobenzoate
TL;DR: 5-Methoxy-2-nitrobenzoate (CAS 1882-69-5) is a chemical compound with molecular formula C8H6NO5- and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-nitrobenzoate
Also Known As: 5-methoxy-2-nitrobenzoate
| Molecular Formula | C8H6NO5- |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | -0.0331 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0246 |
| Heavy Atoms | 14 |
| Complexity | 387.31808 |
Chemical Identifiers
| CAS Number | 1882-69-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)[O-] |
Product Overview
5-Methoxy-2-nitrobenzoate (CAS 1882-69-5), with molecular formula C8H6NO5- and molecular weight 196.02 g/mol. IUPAC: 5-methoxy-2-nitrobenzoate.
Chemical Property Profile of 5-Methoxy-2-nitrobenzoate
Property Insights of 5-Methoxy-2-nitrobenzoate
The XLogP value of -0.0331 indicates that 5-Methoxy-2-nitrobenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-2-nitrobenzoate. Following Lipinski's Rule of Five, 5-Methoxy-2-nitrobenzoate has 0 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 5-Methoxy-2-nitrobenzoate?
The CAS number of 5-Methoxy-2-nitrobenzoate is 1882-69-5.
What is the molecular formula of 5-Methoxy-2-nitrobenzoate?
The molecular formula of 5-Methoxy-2-nitrobenzoate is C8H6NO5-.
What is the molecular weight of 5-Methoxy-2-nitrobenzoate?
The molecular weight of 5-Methoxy-2-nitrobenzoate is 196.02 g/mol.
Where can I buy 5-Methoxy-2-nitrobenzoate?
You can request a quote for 5-Methoxy-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.