4-(Trifluoromethyl)umbelliferyl butyrate
TL;DR: 4-(Trifluoromethyl)umbelliferyl butyrate (CAS 141573-64-0) is a chemical compound with molecular formula C14H11F3O4 and molecular weight 300.06094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-4-(trifluoromethyl)chromen-7-yl] butanoate
Also Known As: 4-(Trifluoromethyl)umbelliferyl butyrate, [2-oxo-4-(trifluoromethyl)chromen-7-yl] butanoate, 2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl butanoate
Technical Specifications
| Molecular Formula | C14H11F3O4 |
| Molecular Weight | 300.06094 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06094 Da |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
| SMILES | CCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | DIOAEWNUCWIZQK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Trifluoromethyl)umbelliferyl butyrate
Property Insights of 4-(Trifluoromethyl)umbelliferyl butyrate
The XLogP value of 3.4 indicates that 4-(Trifluoromethyl)umbelliferyl butyrate 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-(Trifluoromethyl)umbelliferyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)umbelliferyl butyrate 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-(Trifluoromethyl)umbelliferyl butyrate?
The CAS number of 4-(Trifluoromethyl)umbelliferyl butyrate is 141573-64-0.
What is the molecular formula of 4-(Trifluoromethyl)umbelliferyl butyrate?
The molecular formula of 4-(Trifluoromethyl)umbelliferyl butyrate is C14H11F3O4.
What is the molecular weight of 4-(Trifluoromethyl)umbelliferyl butyrate?
The molecular weight of 4-(Trifluoromethyl)umbelliferyl butyrate is 300.06094 g/mol.
Where can I buy 4-(Trifluoromethyl)umbelliferyl butyrate?
You can request a quote for 4-(Trifluoromethyl)umbelliferyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Trifluoromethyl)umbelliferyl butyrate?
Yes, CoreyChem provides custom synthesis services for 4-(Trifluoromethyl)umbelliferyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.