![(E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid structure](/static/products/496/496775-96-3.png)
(E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid
TL;DR: (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid (CAS 496775-96-3) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid
Also Known As: F1280-0009, (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid, (E)-4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)but-2-enoic acid, (2E)-4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}but-2-enoic acid, 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)but-2-enoic acid
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.0766 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 756.2792 |
Chemical Identifiers
| CAS Number | 496775-96-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C/C=C/C(=O)O |
Product Overview
(E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid (CAS 496775-96-3), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid.
Chemical Property Profile of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid
Property Insights of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid
The XLogP value of 2.0766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic 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 (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid?
The CAS number of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid is 496775-96-3.
What is the molecular formula of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid?
The molecular formula of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid is C16H11NO4.
What is the molecular weight of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid?
The molecular weight of (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid is 281.07 g/mol.
Where can I buy (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid?
You can request a quote for (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.