![Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure](/static/products/868/868223-93-2.png)
Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
TL;DR: Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868223-93-2) is a chemical compound with molecular formula C21H19FN2O5 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: AB00686538-01, F1808-0083, ethyl 2-[(2-{[(2-fluorophenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate, ethyl 2-((2-(2-((2-fluorophenyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate
| Molecular Formula | C21H19FN2O5 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 2.7212 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1278 |
| Heavy Atoms | 29 |
| Complexity | 1109.6669 |
Chemical Identifiers
| CAS Number | 868223-93-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=CC=C3F |
Product Overview
Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868223-93-2), with molecular formula C21H19FN2O5 and molecular weight 398.13 g/mol. IUPAC: ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Property Insights of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
The XLogP value of 2.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate. Following Lipinski's Rule of Five, Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate 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 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The CAS number of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 868223-93-2.
What is the molecular formula of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular formula of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is C21H19FN2O5.
What is the molecular weight of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular weight of Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 398.13 g/mol.
Where can I buy Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
You can request a quote for Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-[2-(2-fluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.