3-(2-Quinolyl)prop-2-enoic acid
TL;DR: 3-(2-Quinolyl)prop-2-enoic acid (CAS 6287-63-4) 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-2-ylprop-2-enoic acid
Also Known As: 2-Quinolineacrylic acid, (E)-3-Quinolin-2-yl-acrylic acid, (E)-3-(QUINOLIN-2-YL)ACRYLIC ACID, 3-(2-quinolyl)prop-2-enoic acid, 3-quinolin-2-ylprop-2-enoic acid
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6287-63-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)O |
| InChIKey | QHJIDQGIAPCVMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Quinolyl)prop-2-enoic acid (CAS 6287-63-4), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 3-quinolin-2-ylprop-2-enoic acid.
Chemical Property Profile of 3-(2-Quinolyl)prop-2-enoic acid
Property Insights of 3-(2-Quinolyl)prop-2-enoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Quinolyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3-(2-Quinolyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Quinolyl)prop-2-enoic 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-(2-Quinolyl)prop-2-enoic acid?
The CAS number of 3-(2-Quinolyl)prop-2-enoic acid is 6287-63-4.
What is the molecular formula of 3-(2-Quinolyl)prop-2-enoic acid?
The molecular formula of 3-(2-Quinolyl)prop-2-enoic acid is C12H9NO2.
What is the molecular weight of 3-(2-Quinolyl)prop-2-enoic acid?
The molecular weight of 3-(2-Quinolyl)prop-2-enoic acid is 199.06 g/mol.
Where can I buy 3-(2-Quinolyl)prop-2-enoic acid?
You can request a quote for 3-(2-Quinolyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Quinolyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Quinolyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.