![ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate structure](/static/products/3526/352686-24-9.webp)
ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
TL;DR: ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate (CAS 352686-24-9) is a chemical compound with molecular formula C21H13BrClNO4 and molecular weight 456.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-chlorobenzoate
Also Known As: ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate, ethyl 5-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-chlorobenzoate, ETHYL 5-[6-BROMO-1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL]-2-CHLOROBENZOATE
| Molecular Formula | C21H13BrClNO4 |
|---|---|
| Molecular Weight | 456.97 g/mol |
| LogP | 5.233 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.97165 |
| Heavy Atoms | 28 |
| Complexity | 1152.2745 |
Chemical Identifiers
| CAS Number | 352686-24-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)Cl |
Product Overview
ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate (CAS 352686-24-9), with molecular formula C21H13BrClNO4 and molecular weight 456.97 g/mol. IUPAC: ethyl 5-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-chlorobenzoate.
Chemical Property Profile of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Property Insights of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
The XLogP value of 5.233 indicates that ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate. Following Lipinski's Rule of Five, ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate 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 ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate?
The CAS number of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate is 352686-24-9.
What is the molecular formula of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate?
The molecular formula of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate is C21H13BrClNO4.
What is the molecular weight of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate?
The molecular weight of ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate is 456.97 g/mol.
Where can I buy ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate?
You can request a quote for ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.