2-(2-Ethoxy-2-oxoethyl)isoquinolinium
TL;DR: 2-(2-Ethoxy-2-oxoethyl)isoquinolinium (CAS 59773-35-2) is a chemical compound with molecular formula C13H14NO2+ and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-isoquinolin-2-ium-2-ylacetate
Also Known As: 2-(2-ethoxy-2-oxoethyl)isoquinolinium, ethyl 2-(2-isoquinolyl)acetate, ethyl 2-isoquinolin-2-ium-2-ylacetate, 2-(2-ethoxy-2-oxoethyl)isoquinolin-2-ium, 2-Ethoxycarbonylmethylisoquinolinium
| Molecular Formula | C13H14NO2+ |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 1.6904 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.10245 |
| Heavy Atoms | 16 |
| Complexity | 508.01367 |
Chemical Identifiers
| CAS Number | 59773-35-2 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1 |
Product Overview
2-(2-Ethoxy-2-oxoethyl)isoquinolinium (CAS 59773-35-2), with molecular formula C13H14NO2+ and molecular weight 216.10 g/mol. IUPAC: ethyl 2-isoquinolin-2-ium-2-ylacetate.
Chemical Property Profile of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium
Property Insights of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium
The XLogP value of 1.6904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Ethoxy-2-oxoethyl)isoquinolinium. With a topological polar surface area (TPSA) of 30.18 Ų, 2-(2-Ethoxy-2-oxoethyl)isoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Ethoxy-2-oxoethyl)isoquinolinium has 0 hydrogen bond donor(s) and 2 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 2-(2-Ethoxy-2-oxoethyl)isoquinolinium?
The CAS number of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium is 59773-35-2.
What is the molecular formula of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium?
The molecular formula of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium is C13H14NO2+.
What is the molecular weight of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium?
The molecular weight of 2-(2-Ethoxy-2-oxoethyl)isoquinolinium is 216.10 g/mol.
Where can I buy 2-(2-Ethoxy-2-oxoethyl)isoquinolinium?
You can request a quote for 2-(2-Ethoxy-2-oxoethyl)isoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethoxy-2-oxoethyl)isoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethoxy-2-oxoethyl)isoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.