(5,7-Dibromoquinolin-8-yl) benzoate
TL;DR: (5,7-Dibromoquinolin-8-yl) benzoate (CAS 3949-11-9) is a chemical compound with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromoquinolin-8-yl) benzoate
Also Known As: 5,7-dibromoquinolin-8-yl benzoate, (5,7-dibromoquinolin-8-yl) benzoate
| Molecular Formula | C16H9Br2NO2 |
|---|---|
| Molecular Weight | 404.90 g/mol |
| LogP | 4.979 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.9 |
| Heavy Atoms | 21 |
| Complexity | 819.1249 |
Chemical Identifiers
| CAS Number | 3949-11-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br |
Product Overview
(5,7-Dibromoquinolin-8-yl) benzoate (CAS 3949-11-9), with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol. IUPAC: (5,7-dibromoquinolin-8-yl) benzoate.
Chemical Property Profile of (5,7-Dibromoquinolin-8-yl) benzoate
Property Insights of (5,7-Dibromoquinolin-8-yl) benzoate
The XLogP value of 4.979 indicates that (5,7-Dibromoquinolin-8-yl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, (5,7-Dibromoquinolin-8-yl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5,7-Dibromoquinolin-8-yl) benzoate has 0 hydrogen bond donor(s) and 3 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 (5,7-Dibromoquinolin-8-yl) benzoate?
The CAS number of (5,7-Dibromoquinolin-8-yl) benzoate is 3949-11-9.
What is the molecular formula of (5,7-Dibromoquinolin-8-yl) benzoate?
The molecular formula of (5,7-Dibromoquinolin-8-yl) benzoate is C16H9Br2NO2.
What is the molecular weight of (5,7-Dibromoquinolin-8-yl) benzoate?
The molecular weight of (5,7-Dibromoquinolin-8-yl) benzoate is 404.90 g/mol.
Where can I buy (5,7-Dibromoquinolin-8-yl) benzoate?
You can request a quote for (5,7-Dibromoquinolin-8-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,7-Dibromoquinolin-8-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5,7-Dibromoquinolin-8-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.