ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate
TL;DR: ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate (CAS 51129-74-9) is a chemical compound with molecular formula C18H13F3O6 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate
Also Known As: ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate, ethyl 5-[7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate
| Molecular Formula | C18H13F3O6 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 4.26252 |
| Topological Polar Surface Area | 89.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.06644 |
| Heavy Atoms | 27 |
| Complexity | 1090.8956 |
Chemical Identifiers
| CAS Number | 51129-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)C2=C(OC3=C(C2=O)C(=CC(=C3)O)C)C(F)(F)F |
Product Overview
ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate (CAS 51129-74-9), with molecular formula C18H13F3O6 and molecular weight 382.07 g/mol. IUPAC: ethyl 5-[7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)chromen-3-yl]furan-2-carboxylate.
Chemical Property Profile of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate
Property Insights of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate
The XLogP value of 4.26252 indicates that ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate has 1 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 ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate?
The CAS number of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate is 51129-74-9.
What is the molecular formula of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate?
The molecular formula of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate is C18H13F3O6.
What is the molecular weight of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate?
The molecular weight of ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate is 382.07 g/mol.
Where can I buy ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate?
You can request a quote for ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-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-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(7-hydroxy-5-methyl-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.