![(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester structure](/static/products/2958/295807-37-3.webp)
(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester
TL;DR: (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester (CAS 295807-37-3) is a chemical compound with molecular formula C17H11NO4 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Also Known As: BAS 00383112, BIM-0014780.P001, AB00684037-01, F0125-1812, AF-399/09419032
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.6122 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 796.598 |
Chemical Identifiers
| CAS Number | 295807-37-3 |
|---|---|
| SMILES | C#CCOC(=O)CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester (CAS 295807-37-3), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: prop-2-ynyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate.
Chemical Property Profile of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester
Property Insights of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester
The XLogP value of 1.6122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester. Following Lipinski's Rule of Five, (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester 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 (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester?
The CAS number of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester is 295807-37-3.
What is the molecular formula of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester?
The molecular formula of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester is C17H11NO4.
What is the molecular weight of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester?
The molecular weight of (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester is 293.07 g/mol.
Where can I buy (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester?
You can request a quote for (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-acetic acid prop-2-ynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.