ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate (CAS 154678-99-6) is a chemical compound with molecular formula C12H6F4O4 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6,7,8-tetrafluoro-4-oxochromene-2-carboxylate
Also Known As: BIM-0048029.P001, 2-ethoxycarbonyl-5,6,7,8-tetrafluorochromone, J1.150.075G, ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate, 5,6,7,8-Tetrafluoro-2-ethoxycarbonyl-4H-chromen-2-one
| Molecular Formula | C12H6F4O4 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 2.5261 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.02023 |
| Heavy Atoms | 20 |
| Complexity | 766.367 |
Chemical Identifiers
| CAS Number | 154678-99-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C2=C(O1)C(=C(C(=C2F)F)F)F |
Product Overview
ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate (CAS 154678-99-6), with molecular formula C12H6F4O4 and molecular weight 290.02 g/mol. IUPAC: ethyl 5,6,7,8-tetrafluoro-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 2.5261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate. With a topological polar surface area (TPSA) of 56.51 Ų, ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate has 0 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 ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate is 154678-99-6.
What is the molecular formula of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate is C12H6F4O4.
What is the molecular weight of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate is 290.02 g/mol.
Where can I buy ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5,6,7,8-tetrafluoro-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.