6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid
TL;DR: 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid (CAS 489451-29-8) is a chemical compound with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
Also Known As: 6-bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid, 6-bromo-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid, 6-BROMO-2-(3-ISOBUTOXY-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID, 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylicacid, 6-bromo-2-(3-isobutoxyphenyl)-4-quinolinecarboxylic acid
| Molecular Formula | C20H18BrNO3 |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 5.3973 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.047 |
| Heavy Atoms | 25 |
| Complexity | 937.3726 |
Chemical Identifiers
| CAS Number | 489451-29-8 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O |
Product Overview
6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid (CAS 489451-29-8), with molecular formula C20H18BrNO3 and molecular weight 399.05 g/mol. IUPAC: 6-bromo-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid.
Chemical Property Profile of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid
Property Insights of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid
The XLogP value of 5.3973 indicates that 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.42 Ų, 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid?
The CAS number of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid is 489451-29-8.
What is the molecular formula of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid?
The molecular formula of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid is C20H18BrNO3.
What is the molecular weight of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid?
The molecular weight of 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid is 399.05 g/mol.
Where can I buy 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid?
You can request a quote for 6-Bromo-2-(3-isobutoxyphenyl)quinoline-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 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.