Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
TL;DR: Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate (CAS 329225-34-5) is a chemical compound with molecular formula C22H19F3O6 and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: ChemDiv1_007160, propyl {[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, propyl 2-((4-oxo-3-(m-tolyloxy)-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate, propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
| Molecular Formula | C22H19F3O6 |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 5.24452 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.11337 |
| Heavy Atoms | 31 |
| Complexity | 1150.1719 |
Chemical Identifiers
| CAS Number | 329225-34-5 |
|---|---|
| SMILES | CCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC(=C3)C |
Product Overview
Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate (CAS 329225-34-5), with molecular formula C22H19F3O6 and molecular weight 436.11 g/mol. IUPAC: propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
Property Insights of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
The XLogP value of 5.24452 indicates that Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate. Following Lipinski's Rule of Five, Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The CAS number of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is 329225-34-5.
What is the molecular formula of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The molecular formula of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is C22H19F3O6.
What is the molecular weight of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The molecular weight of Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is 436.11 g/mol.
Where can I buy Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
You can request a quote for Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.