3-(Quinolin-2-yl)propanoic acid
TL;DR: 3-(Quinolin-2-yl)propanoic acid (CAS 39111-94-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-quinolin-2-ylpropanoic acid
Also Known As: 2-quinolinepropanoic acid, 3-(quinolin-2-yl)propanoic acid, 3-quinolin-2-ylpropanoic acid, quinolinepropanoic acid, 2-Quinolinepropionic acid
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 39111-94-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)CCC(=O)O |
| InChIKey | PBXJDATXARPDPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Quinolin-2-yl)propanoic acid (CAS 39111-94-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 3-quinolin-2-ylpropanoic acid.
Chemical Property Profile of 3-(Quinolin-2-yl)propanoic acid
Property Insights of 3-(Quinolin-2-yl)propanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Quinolin-2-yl)propanoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3-(Quinolin-2-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Quinolin-2-yl)propanoic acid has 1 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-(Quinolin-2-yl)propanoic acid?
The CAS number of 3-(Quinolin-2-yl)propanoic acid is 39111-94-9.
What is the molecular formula of 3-(Quinolin-2-yl)propanoic acid?
The molecular formula of 3-(Quinolin-2-yl)propanoic acid is C12H11NO2.
What is the molecular weight of 3-(Quinolin-2-yl)propanoic acid?
The molecular weight of 3-(Quinolin-2-yl)propanoic acid is 201.08 g/mol.
Where can I buy 3-(Quinolin-2-yl)propanoic acid?
You can request a quote for 3-(Quinolin-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Quinolin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Quinolin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.