![ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate structure](/static/products/4425/442557-53-1.webp)
ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate
TL;DR: ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate (CAS 442557-53-1) is a chemical compound with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]benzoate
Also Known As: F1163-0012, ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate, ethyl 4-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}propanamido)benzoate, ethyl 4-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]benzoate, ethyl 4-{[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoyl]amino}benzoate
| Molecular Formula | C24H20N2O5 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.6413 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1372 |
| Heavy Atoms | 31 |
| Complexity | 1149.5702 |
Chemical Identifiers
| CAS Number | 442557-53-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate (CAS 442557-53-1), with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol. IUPAC: ethyl 4-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]benzoate.
Chemical Property Profile of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate
Property Insights of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate
The XLogP value of 3.6413 indicates that ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate 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 ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate?
The CAS number of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate is 442557-53-1.
What is the molecular formula of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate?
The molecular formula of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate is C24H20N2O5.
What is the molecular weight of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate?
The molecular weight of ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate is 416.14 g/mol.
Where can I buy ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate?
You can request a quote for ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.