4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
TL;DR: 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate (CAS 220627-87-2) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butanoic acid
Also Known As: 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE, J1.080.209A, 4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butanoic acid, 4-{5,11-dioxoindeno[1,2-c]isoquinolin-6-yl}butanoic acid, 4-(5,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinolin-6-yl)butanoic acid
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.0777 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 1094.5367 |
Chemical Identifiers
| CAS Number | 220627-87-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCC(=O)O |
Product Overview
4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate (CAS 220627-87-2), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: 4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butanoic acid.
Chemical Property Profile of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
Property Insights of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate
The XLogP value of 3.0777 indicates that 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate. Following Lipinski's Rule of Five, 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate has 1 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 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate?
The CAS number of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate is 220627-87-2.
What is the molecular formula of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate?
The molecular formula of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate is C20H15NO4.
What is the molecular weight of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate?
The molecular weight of 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate is 333.10 g/mol.
Where can I buy 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate?
You can request a quote for 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,11-Dioxo-5H-indeno(1,2-C)isoquinolin-6(11H)-YL)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.