![ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate structure](/static/products/3008/300815-53-6.webp)
ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate
TL;DR: ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate (CAS 300815-53-6) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate
Also Known As: ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate, BAS 00355107, Ethyl 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoate, ethyl 6-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}hexanoate, 6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid ethyl ester
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.5593 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 776.806 |
Chemical Identifiers
| CAS Number | 300815-53-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate (CAS 300815-53-6), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate.
Chemical Property Profile of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate
Property Insights of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate
The XLogP value of 3.5593 indicates that ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate 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 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate. Following Lipinski's Rule of Five, ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate has 0 hydrogen bond donor(s) and 4 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 ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate?
The CAS number of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate is 300815-53-6.
What is the molecular formula of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate?
The molecular formula of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate is C20H21NO4.
What is the molecular weight of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate?
The molecular weight of ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate is 339.15 g/mol.
Where can I buy ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate?
You can request a quote for ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.