2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid
TL;DR: 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid (CAS 588693-16-7) is a chemical compound with molecular formula C17H10FNO4 and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid
Also Known As: 2-(1,3-benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid, 2-benzo[1,3]dioxol-5-yl-6-fluoro-quinoline-4-carboxylic Acid, 6-Fluoro-2-benzo[1,3]dioxol-5-yl-quinoline-4-carboxylic acid, 2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-6-fluoroquinoline-4-carboxylic acid
| Molecular Formula | C17H10FNO4 |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 3.4678 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0594 |
| Heavy Atoms | 23 |
| Complexity | 954.7214 |
Chemical Identifiers
| CAS Number | 588693-16-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3)C(=O)O |
Product Overview
2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid (CAS 588693-16-7), with molecular formula C17H10FNO4 and molecular weight 311.06 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid
Property Insights of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid
The XLogP value of 3.4678 indicates that 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid is 588693-16-7.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid is C17H10FNO4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid is 311.06 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-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 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-6-fluoroquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.