2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide
TL;DR: 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide (CAS 52214-58-1) is a chemical compound with molecular formula C11H11IN2O and molecular weight 313.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-2-ium-2-ylacetamide iodide
Also Known As: 2-isoquinolin-2-ylacetamide Iodide, 2-(2-amino-2-oxoethyl)isoquinolin-2-ium iodide, 2-isoquinolin-2-ium-2-ylacetamide iodide, 2-isoquinolin-2-ium-2-ylacetamide;iodide, 2-(CARBAMOYLMETHYL)ISOQUINOLIN-2-IUM IODIDE
| Molecular Formula | C11H11IN2O |
|---|---|
| Molecular Weight | 313.99 g/mol |
| LogP | -2.3834 |
| Topological Polar Surface Area | 46.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.9916 |
| Heavy Atoms | 15 |
| Complexity | 484.72653 |
Chemical Identifiers
| CAS Number | 52214-58-1 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CC(=O)N.[I-] |
Product Overview
2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide (CAS 52214-58-1), with molecular formula C11H11IN2O and molecular weight 313.99 g/mol. IUPAC: 2-isoquinolin-2-ium-2-ylacetamide iodide.
Chemical Property Profile of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide
Property Insights of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide
The XLogP value of -2.3834 indicates that 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.97 Ų, 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide 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)isoquinolin-2-ium iodide?
The CAS number of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide is 52214-58-1.
What is the molecular formula of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide?
The molecular formula of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide is C11H11IN2O.
What is the molecular weight of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide?
The molecular weight of 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide is 313.99 g/mol.
Where can I buy 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide?
You can request a quote for 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide 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)isoquinolin-2-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Amino-2-oxoethyl)isoquinolin-2-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.