3-(2-Quinoxalinyl)phenyl 3-bromobenzoate
TL;DR: 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate (CAS 380586-71-0) is a chemical compound with molecular formula C21H13BrN2O2 and molecular weight 404.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-quinoxalin-2-ylphenyl) 3-bromobenzoate
Also Known As: 3-(2-quinoxalinyl)phenyl 3-bromobenzoate, (3-quinoxalin-2-ylphenyl) 3-bromobenzoate, 3-(quinoxalin-2-yl)phenyl 3-bromobenzoate, 3-quinoxalin-2-ylphenyl 3-bromobenzoate
| Molecular Formula | C21H13BrN2O2 |
|---|---|
| Molecular Weight | 404.02 g/mol |
| LogP | 5.2785 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.01605 |
| Heavy Atoms | 26 |
| Complexity | 1111.6228 |
Chemical Identifiers
| CAS Number | 380586-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)Br |
Product Overview
3-(2-Quinoxalinyl)phenyl 3-bromobenzoate (CAS 380586-71-0), with molecular formula C21H13BrN2O2 and molecular weight 404.02 g/mol. IUPAC: (3-quinoxalin-2-ylphenyl) 3-bromobenzoate.
Chemical Property Profile of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate
Property Insights of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate
The XLogP value of 5.2785 indicates that 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate?
The CAS number of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate is 380586-71-0.
What is the molecular formula of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate?
The molecular formula of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate is C21H13BrN2O2.
What is the molecular weight of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate?
The molecular weight of 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate is 404.02 g/mol.
Where can I buy 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate?
You can request a quote for 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Quinoxalinyl)phenyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.