Methyl 2-Bromo-5-nitrobenzoate
TL;DR: Methyl 2-Bromo-5-nitrobenzoate (CAS 82867-71-8) is a chemical compound with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-5-nitrobenzoate
Also Known As: Methyl 2-bromo-5-nitrobenzoate, wnr de cvo2, 2-Bromo-5-nitrobenzoic Acid Methyl Ester, Methyl2-bromo-5-nitrobenzoate, 5-Bromo Methyl Nicotinate
| Molecular Formula | C8H6BrNO4 |
|---|---|
| Molecular Weight | 258.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.94803 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 82867-71-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br |
| InChIKey | VSEYYEKRZNRECT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-Bromo-5-nitrobenzoate (CAS 82867-71-8), with molecular formula C8H6BrNO4 and molecular weight 258.95 g/mol. IUPAC: methyl 2-bromo-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-Bromo-5-nitrobenzoate
Property Insights of Methyl 2-Bromo-5-nitrobenzoate
The XLogP value of 3.3 indicates that Methyl 2-Bromo-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-Bromo-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 2-Bromo-5-nitrobenzoate 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 Methyl 2-Bromo-5-nitrobenzoate?
The CAS number of Methyl 2-Bromo-5-nitrobenzoate is 82867-71-8.
What is the molecular formula of Methyl 2-Bromo-5-nitrobenzoate?
The molecular formula of Methyl 2-Bromo-5-nitrobenzoate is C8H6BrNO4.
What is the molecular weight of Methyl 2-Bromo-5-nitrobenzoate?
The molecular weight of Methyl 2-Bromo-5-nitrobenzoate is 258.95 g/mol.
Where can I buy Methyl 2-Bromo-5-nitrobenzoate?
You can request a quote for Methyl 2-Bromo-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-Bromo-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-Bromo-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.