3-Amino-3-isoquinolin-4-ylpropanoic acid
TL;DR: 3-Amino-3-isoquinolin-4-ylpropanoic acid (CAS 477250-48-9) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-isoquinolin-4-ylpropanoic acid
Also Known As: 4-Isoquinolinepropanoic acid, beta-amino-, 3-amino-3-isoquinolin-4-yl-propanoic Acid, 3-AMINO-3-ISOQUINOLIN-4-YL-PROPIONIC ACID
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.7093 |
| Topological Polar Surface Area | 76.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 519.9126 |
Chemical Identifiers
| CAS Number | 477250-48-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2C(CC(=O)O)N |
Product Overview
3-Amino-3-isoquinolin-4-ylpropanoic acid (CAS 477250-48-9), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3-amino-3-isoquinolin-4-ylpropanoic acid.
Chemical Property Profile of 3-Amino-3-isoquinolin-4-ylpropanoic acid
Property Insights of 3-Amino-3-isoquinolin-4-ylpropanoic acid
The XLogP value of 1.7093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-isoquinolin-4-ylpropanoic acid. The TPSA of 76.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-isoquinolin-4-ylpropanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-isoquinolin-4-ylpropanoic acid has 2 hydrogen bond donor(s) and 3 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 3-Amino-3-isoquinolin-4-ylpropanoic acid?
The CAS number of 3-Amino-3-isoquinolin-4-ylpropanoic acid is 477250-48-9.
What is the molecular formula of 3-Amino-3-isoquinolin-4-ylpropanoic acid?
The molecular formula of 3-Amino-3-isoquinolin-4-ylpropanoic acid is C12H12N2O2.
What is the molecular weight of 3-Amino-3-isoquinolin-4-ylpropanoic acid?
The molecular weight of 3-Amino-3-isoquinolin-4-ylpropanoic acid is 216.09 g/mol.
Where can I buy 3-Amino-3-isoquinolin-4-ylpropanoic acid?
You can request a quote for 3-Amino-3-isoquinolin-4-ylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-isoquinolin-4-ylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-isoquinolin-4-ylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.