氟甲喹
TL;DR: 氟甲喹 (CAS 42835-25-6) is a chemical compound with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟甲喹
7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Also Known As: flumequine, Apurone, Flumigal, Imequyl, Flumequino
| Molecular Formula | C14H12FNO3 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0801 |
| Heavy Atoms | 19 |
| Complexity | 462.0 |
| Melting Point | 253-255 °C |
| Solubility | Insoluble in water |
Chemical Identifiers
| CAS Number | 42835-25-6 |
|---|---|
| SMILES | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O |
| InChIKey | DPSPPJIUMHPXMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟甲喹 (CAS 42835-25-6), with molecular formula C14H12FNO3 and molecular weight 261.08 g/mol. IUPAC: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid.
Chemical Property Profile of 氟甲喹
Property Insights of 氟甲喹
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟甲喹. With a topological polar surface area (TPSA) of 57.6 Ų, 氟甲喹 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氟甲喹 has 1 hydrogen bond donor(s) and 5 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 氟甲喹?
The CAS number of 氟甲喹 is 42835-25-6.
What is the molecular formula of 氟甲喹?
The molecular formula of 氟甲喹 is C14H12FNO3.
What is the molecular weight of 氟甲喹?
The molecular weight of 氟甲喹 is 261.08 g/mol.
Where can I buy 氟甲喹?
You can request a quote for 氟甲喹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟甲喹?
Yes, KEHONG BIO provides custom synthesis services for 氟甲喹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.