![Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate structure](/static/products/677/67752-59-4.png)
Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate
TL;DR: Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate (CAS 67752-59-4) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetate
Also Known As: ethyl 2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetate, ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 0.9144 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 470.05908 |
Chemical Identifiers
| CAS Number | 67752-59-4 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=C1CCNC2=O |
Product Overview
Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate (CAS 67752-59-4), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: ethyl 2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetate.
Chemical Property Profile of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate
Property Insights of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate
The XLogP value of 0.9144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate. Following Lipinski's Rule of Five, Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate has 1 hydrogen bond donor(s) and 4 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-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate?
The CAS number of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate is 67752-59-4.
What is the molecular formula of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate?
The molecular formula of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate is C13H15NO4.
What is the molecular weight of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate?
The molecular weight of Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate is 249.10 g/mol.
Where can I buy Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate?
You can request a quote for Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.