![Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate structure](/static/products/4497/449741-41-7.webp)
Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
TL;DR: Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate (CAS 449741-41-7) is a chemical compound with molecular formula C22H19F3O5 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: VU0617159-1, AB00952831-02, Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate, F3385-2868, tert-butyl 2-{[4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
| Molecular Formula | C22H19F3O5 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 5.1993 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.11847 |
| Heavy Atoms | 30 |
| Complexity | 1125.6937 |
Chemical Identifiers
| CAS Number | 449741-41-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate (CAS 449741-41-7), with molecular formula C22H19F3O5 and molecular weight 420.12 g/mol. IUPAC: tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Property Insights of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
The XLogP value of 5.1993 indicates that Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate. Following Lipinski's Rule of Five, Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The CAS number of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate is 449741-41-7.
What is the molecular formula of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The molecular formula of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate is C22H19F3O5.
What is the molecular weight of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
The molecular weight of Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate is 420.12 g/mol.
Where can I buy Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
You can request a quote for Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.