(4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate
TL;DR: (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate (CAS 349653-80-1) is a chemical compound with molecular formula C21H12BrN3O4 and molecular weight 449.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate
Also Known As: (4-quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate, 4-(2-quinoxalinyl)phenyl 4-bromo-3-nitrobenzoate, 4-(quinoxalin-2-yl)phenyl 4-bromo-3-nitrobenzoate, 4-quinoxalin-2-ylphenyl 4-bromo-3-nitrobenzoate
| Molecular Formula | C21H12BrN3O4 |
|---|---|
| Molecular Weight | 449.00 g/mol |
| LogP | 5.1867 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.00113 |
| Heavy Atoms | 29 |
| Complexity | 1242.3704 |
Chemical Identifiers
| CAS Number | 349653-80-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
(4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate (CAS 349653-80-1), with molecular formula C21H12BrN3O4 and molecular weight 449.00 g/mol. IUPAC: (4-quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate.
Chemical Property Profile of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate
Property Insights of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate
The XLogP value of 5.1867 indicates that (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate. Following Lipinski's Rule of Five, (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate?
The CAS number of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate is 349653-80-1.
What is the molecular formula of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate?
The molecular formula of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate is C21H12BrN3O4.
What is the molecular weight of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate?
The molecular weight of (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate is 449.00 g/mol.
Where can I buy (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate?
You can request a quote for (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Quinoxalin-2-ylphenyl) 4-bromo-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.