2-(2-Amino-2-oxoethyl)isoquinolinium
TL;DR: 2-(2-Amino-2-oxoethyl)isoquinolinium (CAS 52166-50-4) is a chemical compound with molecular formula C11H11N2O+ and molecular weight 187.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-2-ium-2-ylacetamide
Also Known As: 2-(2-amino-2-oxoethyl)isoquinolinium, 2-(2-isoquinolyl)acetamide, 2-isoquinolin-2-ium-2-ylacetamide, 2-(carbamoylmethyl)-2-isoquinolinium, 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium
| Molecular Formula | C11H11N2O+ |
|---|---|
| Molecular Weight | 187.09 g/mol |
| LogP | 0.6126 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.08714 |
| Heavy Atoms | 14 |
| Complexity | 479.42615 |
Chemical Identifiers
| CAS Number | 52166-50-4 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CC(=O)N |
Product Overview
2-(2-Amino-2-oxoethyl)isoquinolinium (CAS 52166-50-4), with molecular formula C11H11N2O+ and molecular weight 187.09 g/mol. IUPAC: 2-isoquinolin-2-ium-2-ylacetamide.
Chemical Property Profile of 2-(2-Amino-2-oxoethyl)isoquinolinium
Property Insights of 2-(2-Amino-2-oxoethyl)isoquinolinium
The XLogP value of 0.6126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Amino-2-oxoethyl)isoquinolinium. With a topological polar surface area (TPSA) of 46.97 Ų, 2-(2-Amino-2-oxoethyl)isoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Amino-2-oxoethyl)isoquinolinium has 1 hydrogen bond donor(s) and 1 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-Amino-2-oxoethyl)isoquinolinium?
The CAS number of 2-(2-Amino-2-oxoethyl)isoquinolinium is 52166-50-4.
What is the molecular formula of 2-(2-Amino-2-oxoethyl)isoquinolinium?
The molecular formula of 2-(2-Amino-2-oxoethyl)isoquinolinium is C11H11N2O+.
What is the molecular weight of 2-(2-Amino-2-oxoethyl)isoquinolinium?
The molecular weight of 2-(2-Amino-2-oxoethyl)isoquinolinium is 187.09 g/mol.
Where can I buy 2-(2-Amino-2-oxoethyl)isoquinolinium?
You can request a quote for 2-(2-Amino-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-Amino-2-oxoethyl)isoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-2-oxoethyl)isoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.