4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate
TL;DR: 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 315233-50-2) is a chemical compound with molecular formula C21H17F3O5 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate, AF-399/14945559, [4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-yl] acetate, F0758-0009, 4-oxo-3-[(4-propylphenyl)oxy]-2-(trifluoromethyl)-4H-chromen-7-yl acetate
| Molecular Formula | C21H17F3O5 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 5.4819 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1028 |
| Heavy Atoms | 29 |
| Complexity | 1098.2301 |
Chemical Identifiers
| CAS Number | 315233-50-2 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C)C(F)(F)F |
Product Overview
4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 315233-50-2), with molecular formula C21H17F3O5 and molecular weight 406.10 g/mol. IUPAC: [4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Property Insights of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate
The XLogP value of 5.4819 indicates that 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate 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 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate 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 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The CAS number of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 315233-50-2.
What is the molecular formula of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular formula of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate is C21H17F3O5.
What is the molecular weight of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular weight of 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 406.10 g/mol.
Where can I buy 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
You can request a quote for 4-oxo-3-(4-propylphenoxy)-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-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-(4-propylphenoxy)-2-(trifluoromethyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.