![Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate structure](/static/products/868/868224-89-9.png)
Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
TL;DR: Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868224-89-9) 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.
methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Also Known As: F1808-0193, methyl 2-[(2-{[(2-methylphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate, methyl 2-((1-oxo-2-(2-oxo-2-(o-tolylamino)ethyl)-1,2-dihydroisoquinolin-5-yl)oxy)acetate, methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.50042 |
| 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 | 1087.5913 |
Chemical Identifiers
| CAS Number | 868224-89-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC |
Product Overview
Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CAS 868224-89-9), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
Chemical Property Profile of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Property Insights of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
The XLogP value of 2.50042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[2-[2-(2-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 Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate. Following Lipinski's Rule of Five, Methyl 2-[2-[2-(2-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 Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The CAS number of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 868224-89-9.
What is the molecular formula of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular formula of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is C21H20N2O5.
What is the molecular weight of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The molecular weight of Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is 380.14 g/mol.
Where can I buy Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
You can request a quote for Methyl 2-[2-[2-(2-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 Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-[2-(2-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.