6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
TL;DR: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid (CAS 321309-28-8) is a chemical compound with molecular formula C9H7FO4 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Also Known As: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, 6-Fluoro-4H-benzo[1,3]dioxine-8-carboxylic acid, RARECHEM AL BE 1311, 6-Fluoro-4H-benzo[d][1,3]dioxine-8-carboxylic acid, SDCCGMLS-0065923.P001
| Molecular Formula | C9H7FO4 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.3904 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.03284 |
| Heavy Atoms | 14 |
| Complexity | 388.6435 |
Chemical Identifiers
| CAS Number | 321309-28-8 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)F)C(=O)O)OCO1 |
Product Overview
6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid (CAS 321309-28-8), with molecular formula C9H7FO4 and molecular weight 198.03 g/mol. IUPAC: 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid.
Chemical Property Profile of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
Property Insights of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
The XLogP value of 1.3904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-fluoro-4H-1,3-benzodioxine-8-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 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid?
The CAS number of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid is 321309-28-8.
What is the molecular formula of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid?
The molecular formula of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid is C9H7FO4.
What is the molecular weight of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid?
The molecular weight of 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid is 198.03 g/mol.
Where can I buy 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid?
You can request a quote for 6-fluoro-4H-1,3-benzodioxine-8-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-fluoro-4H-1,3-benzodioxine-8-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.