2-t-Butyl-4-quinoline carboxylic acid
TL;DR: 2-t-Butyl-4-quinoline carboxylic acid (CAS 854858-19-8) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylquinoline-4-carboxylic acid
Also Known As: 2-t-Butyl-4-quinoline carboxylic acid, 2-tert-butylquinoline-4-carboxylic acid, 2-(tert-Butyl)-4-quinolinecarboxylic acid, 2-tert-Butyl-4-quinolinecarboxylic acid #
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 854858-19-8 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2C(=C1)C(=O)O |
| InChIKey | LWXRGRMKYSAYOS-UHFFFAOYSA-N |
Product Overview
2-t-Butyl-4-quinoline carboxylic acid (CAS 854858-19-8), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: 2-tert-butylquinoline-4-carboxylic acid.
Chemical Property Profile of 2-t-Butyl-4-quinoline carboxylic acid
Property Insights of 2-t-Butyl-4-quinoline carboxylic acid
The XLogP value of 3.4 indicates that 2-t-Butyl-4-quinoline carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 2-t-Butyl-4-quinoline carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-t-Butyl-4-quinoline 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 2-t-Butyl-4-quinoline carboxylic acid?
The CAS number of 2-t-Butyl-4-quinoline carboxylic acid is 854858-19-8.
What is the molecular formula of 2-t-Butyl-4-quinoline carboxylic acid?
The molecular formula of 2-t-Butyl-4-quinoline carboxylic acid is C14H15NO2.
What is the molecular weight of 2-t-Butyl-4-quinoline carboxylic acid?
The molecular weight of 2-t-Butyl-4-quinoline carboxylic acid is 229.11 g/mol.
Where can I buy 2-t-Butyl-4-quinoline carboxylic acid?
You can request a quote for 2-t-Butyl-4-quinoline carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-t-Butyl-4-quinoline carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-t-Butyl-4-quinoline carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.