5,6,7,8-Tetrafluorocoumarin
TL;DR: 5,6,7,8-Tetrafluorocoumarin (CAS 33739-04-7) is a chemical compound with molecular formula C9H2F4O2 and molecular weight 218.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7,8-tetrafluorochromen-2-one
Also Known As: 5,6,7,8-Tetrafluorocoumarin, 5,6,7,8-tetrafluorochromen-2-one, 5,6,7,8-Tetrafluoro-2H-chromen-2-one, Coumarin, 5,6,7,8-tetrafluoro-, 0630AE
| Molecular Formula | C9H2F4O2 |
|---|---|
| Molecular Weight | 218.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.99908 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 33739-04-7 |
|---|---|
| SMILES | C1=CC(=O)OC2=C1C(=C(C(=C2F)F)F)F |
| InChIKey | HTKMOKUQPFWCEI-UHFFFAOYSA-N |
Product Overview
5,6,7,8-Tetrafluorocoumarin (CAS 33739-04-7), with molecular formula C9H2F4O2 and molecular weight 218.00 g/mol. IUPAC: 5,6,7,8-tetrafluorochromen-2-one.
Chemical Property Profile of 5,6,7,8-Tetrafluorocoumarin
Property Insights of 5,6,7,8-Tetrafluorocoumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrafluorocoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 5,6,7,8-Tetrafluorocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8-Tetrafluorocoumarin 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 5,6,7,8-Tetrafluorocoumarin?
The CAS number of 5,6,7,8-Tetrafluorocoumarin is 33739-04-7.
What is the molecular formula of 5,6,7,8-Tetrafluorocoumarin?
The molecular formula of 5,6,7,8-Tetrafluorocoumarin is C9H2F4O2.
What is the molecular weight of 5,6,7,8-Tetrafluorocoumarin?
The molecular weight of 5,6,7,8-Tetrafluorocoumarin is 218.00 g/mol.
Where can I buy 5,6,7,8-Tetrafluorocoumarin?
You can request a quote for 5,6,7,8-Tetrafluorocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8-Tetrafluorocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8-Tetrafluorocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.