3-Ethylquinoline-4-carboxylic acid
TL;DR: 3-Ethylquinoline-4-carboxylic acid (CAS 21548-54-9) 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-ethylquinoline-4-carboxylic acid
Also Known As: 3-Ethylquinoline-4-carboxylic acid, Cinchoninic acid, 3-ethyl-, 3-Ethyl-4-quinolinecarboxylic acid, 3-Aethyl-chinolin-4-carbonsaeure, 4-Quinolinecarboxylicacid, 3-ethyl-
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 21548-54-9 |
|---|---|
| SMILES | CCC1=C(C2=CC=CC=C2N=C1)C(=O)O |
| InChIKey | VZNJFRIPRWNVLS-UHFFFAOYSA-N |
Product Overview
3-Ethylquinoline-4-carboxylic acid (CAS 21548-54-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 3-ethylquinoline-4-carboxylic acid.
Chemical Property Profile of 3-Ethylquinoline-4-carboxylic acid
Property Insights of 3-Ethylquinoline-4-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethylquinoline-4-carboxylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3-Ethylquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethylquinoline-4-carboxylic 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-Ethylquinoline-4-carboxylic acid?
The CAS number of 3-Ethylquinoline-4-carboxylic acid is 21548-54-9.
What is the molecular formula of 3-Ethylquinoline-4-carboxylic acid?
The molecular formula of 3-Ethylquinoline-4-carboxylic acid is C12H11NO2.
What is the molecular weight of 3-Ethylquinoline-4-carboxylic acid?
The molecular weight of 3-Ethylquinoline-4-carboxylic acid is 201.08 g/mol.
Where can I buy 3-Ethylquinoline-4-carboxylic acid?
You can request a quote for 3-Ethylquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.