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Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate
TL;DR: Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate (CAS 297138-63-7) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
Also Known As: BAS 00355103, methyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate, UPCMLD0ENAT0400-2523:001, Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate, methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.389 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 730.57263 |
Chemical Identifiers
| CAS Number | 297138-63-7 |
|---|---|
| SMILES | COC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate (CAS 297138-63-7), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: methyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate.
Chemical Property Profile of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate
Property Insights of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate
The XLogP value of 2.389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate. Following Lipinski's Rule of Five, Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-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 Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate?
The CAS number of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate is 297138-63-7.
What is the molecular formula of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate?
The molecular formula of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate is C17H15NO4.
What is the molecular weight of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate?
The molecular weight of Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate is 297.10 g/mol.
Where can I buy Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate?
You can request a quote for Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.