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Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
TL;DR: Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate (CAS 103884-83-9) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Also Known As: Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, methyl 2-(5-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate, methyl 2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate, Methyl 2-(5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 103884-83-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N |
| InChIKey | QRXLUEMJMUPTGS-UHFFFAOYSA-N |
Product Overview
Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate (CAS 103884-83-9), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: methyl 2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate.
Chemical Property Profile of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
Property Insights of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate. Following Lipinski's Rule of Five, Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate has 1 hydrogen bond donor(s) and 5 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 Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The CAS number of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is 103884-83-9.
What is the molecular formula of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The molecular formula of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is C15H12N2O4.
What is the molecular weight of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
The molecular weight of Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate is 284.08 g/mol.
Where can I buy Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
You can request a quote for Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.