![[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate structure](/static/products/845/845649-54-9.png)
[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate
TL;DR: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate (CAS 845649-54-9) 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.
[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate
Also Known As: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate|3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl pivalate|3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2,2-dimethylpropanoate|3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl 2,2-dimethylpropanoa te
| Molecular Formula | C22H19F3O5 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 5.4389 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.11847 |
| Heavy Atoms | 30 |
| Complexity | 1152.8273 |
Chemical Identifiers
| CAS Number | 845649-54-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)OC |
Product Overview
[3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate (CAS 845649-54-9), with molecular formula C22H19F3O5 and molecular weight 420.12 g/mol. IUPAC: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate
Property Insights of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate
The XLogP value of 5.4389 indicates that [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate 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 [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate. Following Lipinski's Rule of Five, [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate 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 [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate?
The CAS number of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate is 845649-54-9.
What is the molecular formula of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate?
The molecular formula of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate is C22H19F3O5.
What is the molecular weight of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate?
The molecular weight of [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate is 420.12 g/mol.
Where can I buy [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate?
You can request a quote for [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.