8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate
TL;DR: 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate (CAS 3684-46-6) is a chemical compound with molecular formula C17H11Br2NO2 and molecular weight 418.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromo-2-methylquinolin-8-yl) benzoate
Also Known As: Broxaldine, brobenzoxaldine, Broxaldina, Broxaldinum, Broxaldin
| Molecular Formula | C17H11Br2NO2 |
|---|---|
| Molecular Weight | 418.92 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.9136 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 3684-46-6 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br |
| InChIKey | IJTPLVAAROHGGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate (CAS 3684-46-6), with molecular formula C17H11Br2NO2 and molecular weight 418.92 g/mol. IUPAC: (5,7-dibromo-2-methylquinolin-8-yl) benzoate.
Chemical Property Profile of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate
Property Insights of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate
The XLogP value of 5.4 indicates that 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate?
The CAS number of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate is 3684-46-6.
What is the molecular formula of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate?
The molecular formula of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate is C17H11Br2NO2.
What is the molecular weight of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate?
The molecular weight of 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate is 418.92 g/mol.
Where can I buy 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate?
You can request a quote for 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolinol, 5,7-dibromo-2-methyl-, 8-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.