![prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate structure](/static/products/2958/295807-38-4.webp)
prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
TL;DR: prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate (CAS 295807-38-4) is a chemical compound with molecular formula C19H15NO4 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
Also Known As: BAS 00383113, prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate, prop-2-ynyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate, F0125-1813, prop-2-yn-1-yl 4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}butanoate
| Molecular Formula | C19H15NO4 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 2.3924 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1001 |
| Heavy Atoms | 24 |
| Complexity | 827.806 |
Chemical Identifiers
| CAS Number | 295807-38-4 |
|---|---|
| SMILES | C#CCOC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate (CAS 295807-38-4), with molecular formula C19H15NO4 and molecular weight 321.10 g/mol. IUPAC: prop-2-ynyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate.
Chemical Property Profile of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Property Insights of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
The XLogP value of 2.3924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate. Following Lipinski's Rule of Five, prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate 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 prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The CAS number of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is 295807-38-4.
What is the molecular formula of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The molecular formula of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is C19H15NO4.
What is the molecular weight of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The molecular weight of prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is 321.10 g/mol.
Where can I buy prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
You can request a quote for prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.