![ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate structure](/static/products/1507/150705-10-5.webp)
ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
TL;DR: ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate (CAS 150705-10-5) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
Also Known As: ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate, AKOS BBS-00007386, 4671AD, ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate, BAS 02770864
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.7791 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 745.9582 |
Chemical Identifiers
| CAS Number | 150705-10-5 |
|---|---|
| SMILES | CCOC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O |
Product Overview
ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate (CAS 150705-10-5), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: ethyl 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate.
Chemical Property Profile of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Property Insights of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
The XLogP value of 2.7791 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 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 ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate. Following Lipinski's Rule of Five, ethyl 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 ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The CAS number of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is 150705-10-5.
What is the molecular formula of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The molecular formula of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is C18H17NO4.
What is the molecular weight of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
The molecular weight of ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate is 311.12 g/mol.
Where can I buy ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
You can request a quote for ethyl 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 ethyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 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.