3-Quinolineacrylic acid
TL;DR: 3-Quinolineacrylic acid (CAS 81124-51-8) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-quinolin-3-ylprop-2-enoic acid
Also Known As: 3-quinolineacrylic acid, 3-(quinolin-3-yl)acrylic acid, 3-quinolin-3-yl-acrylic acid, 3-quinolin-3-ylprop-2-enoic Acid, 3-(Quinolin-3-yl)-acrylic Acid
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.3326 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 531.88806 |
Chemical Identifiers
| CAS Number | 81124-51-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)C=CC(=O)O |
Product Overview
3-Quinolineacrylic acid (CAS 81124-51-8), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 3-quinolin-3-ylprop-2-enoic acid.
Chemical Property Profile of 3-Quinolineacrylic acid
Property Insights of 3-Quinolineacrylic acid
The XLogP value of 2.3326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolineacrylic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Quinolineacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolineacrylic acid has 1 hydrogen bond donor(s) and 2 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-Quinolineacrylic acid?
The CAS number of 3-Quinolineacrylic acid is 81124-51-8.
What is the molecular formula of 3-Quinolineacrylic acid?
The molecular formula of 3-Quinolineacrylic acid is C12H9NO2.
What is the molecular weight of 3-Quinolineacrylic acid?
The molecular weight of 3-Quinolineacrylic acid is 199.06 g/mol.
Where can I buy 3-Quinolineacrylic acid?
You can request a quote for 3-Quinolineacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolineacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolineacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.