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Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
TL;DR: Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate (CAS 135980-44-8) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Also Known As: methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate, BIM-0046073.P001, N-(methoxycarbonylmethyl)-1,8-naphthalimide, J2.144.404I, F0739-0018
Technical Specifications
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.06882 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06882 Da |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
| SMILES | COC(=O)CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
| InChIKey | KZJOFXKSSJVGDO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Property Insights of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate 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
What is the CAS number of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate?
The CAS number of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate is 135980-44-8.
What is the molecular formula of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate?
The molecular formula of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate is C15H11NO4.
What is the molecular weight of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate?
The molecular weight of Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate is 269.06882 g/mol.
Where can I buy Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate?
You can request a quote for Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.