6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
TL;DR: 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one (CAS 105258-37-5) is a chemical compound with molecular formula C18H13F3O3 and molecular weight 334.08167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
Also Known As: 6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one, 6-Ethyl-7-hydroxy-3-phenyl-2-trifluoromethyl-chromen-4-one, 6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one, 6-ethyl-7-hydroxy-2-trifluoromethylisoflavone, AB00114582-01
Technical Specifications
| Molecular Formula | C18H13F3O3 |
| Molecular Weight | 334.08167 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.08167 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | CCC1=CC2=C(C=C1O)OC(=C(C2=O)C3=CC=CC=C3)C(F)(F)F |
| InChIKey | CPRNHRFNUCHSII-UHFFFAOYSA-N |
Chemical Property Profile of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Property Insights of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
The XLogP value of 4.5 indicates that 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one 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
What is the CAS number of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The CAS number of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one is 105258-37-5.
What is the molecular formula of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The molecular formula of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one is C18H13F3O3.
What is the molecular weight of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
The molecular weight of 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one is 334.08167 g/mol.
Where can I buy 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
You can request a quote for 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one?
Yes, CoreyChem provides custom synthesis services for 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.