![Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate structure](/static/products/868/868223-64-7.png)
Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate (CAS 868223-64-7) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate
Also Known As: F1808-0047, ethyl 4-[2-(5-methoxy-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]benzoate, ethyl 4-(2-(5-methoxy-1-oxoisoquinolin-2(1H)-yl)acetamido)benzoate, ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate, ethyl p-{[(5-methoxy-1-oxo-1,2-dihydro-2-isoquinolyl)methyl]carbonylamino}benzoate
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.8255 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 1070.3413 |
Chemical Identifiers
| CAS Number | 868223-64-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OC |
Product Overview
Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate (CAS 868223-64-7), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate
The XLogP value of 2.8255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]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-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate is 868223-64-7.
What is the molecular formula of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate is C21H20N2O5.
What is the molecular weight of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate is 380.14 g/mol.
Where can I buy Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]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-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(5-methoxy-1-oxoisoquinolin-2-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.