Fluoranil
TL;DR: Fluoranil (CAS 527-21-9) is a chemical compound with molecular formula C6F4O2 and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione
Also Known As: Tetrafluoro-1,4-benzoquinone, Fluoranil, p-Fluoranil, Tetrafluoroquinone, Fluoroanil
| Molecular Formula | C6F4O2 |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.98344 |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 527-21-9 |
|---|---|
| SMILES | C1(=C(C(=O)C(=C(C1=O)F)F)F)F |
| InChIKey | JKLYZOGJWVAIQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fluoranil (CAS 527-21-9), with molecular formula C6F4O2 and molecular weight 179.98 g/mol. IUPAC: 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Fluoranil
Property Insights of Fluoranil
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fluoranil. With a topological polar surface area (TPSA) of 34.1 Ų, Fluoranil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluoranil has 0 hydrogen bond donor(s) and 6 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 Fluoranil?
The CAS number of Fluoranil is 527-21-9.
What is the molecular formula of Fluoranil?
The molecular formula of Fluoranil is C6F4O2.
What is the molecular weight of Fluoranil?
The molecular weight of Fluoranil is 179.98 g/mol.
Where can I buy Fluoranil?
You can request a quote for Fluoranil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluoranil?
Yes, KEHONG BIO provides custom synthesis services for Fluoranil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.