2-(Quinolin-3-YL)acetic acid
TL;DR: 2-(Quinolin-3-YL)acetic acid (CAS 21168-40-1) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-quinolin-3-ylacetic acid
Also Known As: 2-(QUINOLIN-3-YL)ACETIC ACID, 3-Quinolineacetic acid, 2- aceticacid, 2-quinolin-3-ylacetic acid, 3-Quinolinylacetic acid
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 21168-40-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)CC(=O)O |
| InChIKey | GQOJGBVTUSRBPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Quinolin-3-YL)acetic acid (CAS 21168-40-1), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 2-quinolin-3-ylacetic acid.
Chemical Property Profile of 2-(Quinolin-3-YL)acetic acid
Property Insights of 2-(Quinolin-3-YL)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Quinolin-3-YL)acetic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-(Quinolin-3-YL)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Quinolin-3-YL)acetic 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 2-(Quinolin-3-YL)acetic acid?
The CAS number of 2-(Quinolin-3-YL)acetic acid is 21168-40-1.
What is the molecular formula of 2-(Quinolin-3-YL)acetic acid?
The molecular formula of 2-(Quinolin-3-YL)acetic acid is C11H9NO2.
What is the molecular weight of 2-(Quinolin-3-YL)acetic acid?
The molecular weight of 2-(Quinolin-3-YL)acetic acid is 187.06 g/mol.
Where can I buy 2-(Quinolin-3-YL)acetic acid?
You can request a quote for 2-(Quinolin-3-YL)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Quinolin-3-YL)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Quinolin-3-YL)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.