4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate
TL;DR: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 85077-83-4) is a chemical compound with molecular formula C18H11F3O4 and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: ChemDiv3_001532, IDI1_020498, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate, F0758-0069, [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] acetate
| Molecular Formula | C18H11F3O4 |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.06094 |
| Heavy Atoms | 25 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 85077-83-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3 |
| InChIKey | WOEWZUVYAGJQOT-UHFFFAOYSA-N |
Product Overview
4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 85077-83-4), with molecular formula C18H11F3O4 and molecular weight 348.06 g/mol. IUPAC: [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Property Insights of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate
The XLogP value of 3.8 indicates that 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 7 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 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The CAS number of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 85077-83-4.
What is the molecular formula of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular formula of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate is C18H11F3O4.
What is the molecular weight of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular weight of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 348.06 g/mol.
Where can I buy 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
You can request a quote for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.