4-Trifluoromethylumbelliferone7-acetate
TL;DR: 4-Trifluoromethylumbelliferone7-acetate (CAS 141573-62-8) is a chemical compound with molecular formula C12H7F3O4 and molecular weight 272.02963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-4-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 4- UMBELLIFERYLACETATE, 4-(trifluoromethyl)umbelliferyl acetate, 2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl acetate, [2-oxo-4-(trifluoromethyl)chromen-7-yl] acetate, 4-Trifluoromethylumbelliferone7-acetate
Technical Specifications
| Molecular Formula | C12H7F3O4 |
| Molecular Weight | 272.02963 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.02963 Da |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | JOHYKNHCOXRLMX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Trifluoromethylumbelliferone7-acetate
Property Insights of 4-Trifluoromethylumbelliferone7-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethylumbelliferone7-acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Trifluoromethylumbelliferone7-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethylumbelliferone7-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
What is the CAS number of 4-Trifluoromethylumbelliferone7-acetate?
The CAS number of 4-Trifluoromethylumbelliferone7-acetate is 141573-62-8.
What is the molecular formula of 4-Trifluoromethylumbelliferone7-acetate?
The molecular formula of 4-Trifluoromethylumbelliferone7-acetate is C12H7F3O4.
What is the molecular weight of 4-Trifluoromethylumbelliferone7-acetate?
The molecular weight of 4-Trifluoromethylumbelliferone7-acetate is 272.02963 g/mol.
Where can I buy 4-Trifluoromethylumbelliferone7-acetate?
You can request a quote for 4-Trifluoromethylumbelliferone7-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Trifluoromethylumbelliferone7-acetate?
Yes, CoreyChem provides custom synthesis services for 4-Trifluoromethylumbelliferone7-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.