![6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid structure](/static/products/2028/202805-07-0.webp)
6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
TL;DR: 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid (CAS 202805-07-0) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid
Also Known As: 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid, 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid, 6837AD, BAS 00556519, J2.357.501I
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.0808 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 745.9582 |
Chemical Identifiers
| CAS Number | 202805-07-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)O |
Product Overview
6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid (CAS 202805-07-0), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoic acid.
Chemical Property Profile of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
Property Insights of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
The XLogP value of 3.0808 indicates that 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid. Following Lipinski's Rule of Five, 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid 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 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid?
The CAS number of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid is 202805-07-0.
What is the molecular formula of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid?
The molecular formula of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid is C18H17NO4.
What is the molecular weight of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid?
The molecular weight of 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid is 311.12 g/mol.
Where can I buy 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid?
You can request a quote for 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.