![Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure](/static/products/868/868223-85-2.png)
Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
TL;DR: Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868223-85-2) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: AB00686535-01, F1808-0075, ethyl 2-[(2-{[(4-methylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, ethyl 2-((1-oxo-2-(2-oxo-2-(p-tolylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate, ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 2.89052 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 1086.5481 |
Chemical Identifiers
| CAS Number | 868223-85-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C |
Product Overview
Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868223-85-2), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Property Insights of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
The XLogP value of 2.89052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-[2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate. Following Lipinski's Rule of Five, Ethyl 2-[2-[2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The CAS number of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 868223-85-2.
What is the molecular formula of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular formula of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is C22H22N2O5.
What is the molecular weight of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular weight of Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 394.15 g/mol.
Where can I buy Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
You can request a quote for Ethyl 2-[2-[2-(4-methylanilino)-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-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.