![pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate structure](/static/products/4426/442651-57-2.webp)
pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
TL;DR: pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate (CAS 442651-57-2) is a chemical compound with molecular formula C25H25F3O7 and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, AE-641/40789971, pentyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate, pentyl 2-((3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, pentyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]ace tate
| Molecular Formula | C25H25F3O7 |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | 5.6082 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 494.15524 |
| Heavy Atoms | 35 |
| Complexity | 1248.2646 |
Chemical Identifiers
| CAS Number | 442651-57-2 |
|---|---|
| SMILES | CCCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC |
Product Overview
pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate (CAS 442651-57-2), with molecular formula C25H25F3O7 and molecular weight 494.16 g/mol. IUPAC: pentyl 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
Property Insights of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
The XLogP value of 5.6082 indicates that pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate. Following Lipinski's Rule of Five, pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate?
The CAS number of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate is 442651-57-2.
What is the molecular formula of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate?
The molecular formula of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate is C25H25F3O7.
What is the molecular weight of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate?
The molecular weight of pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate is 494.16 g/mol.
Where can I buy pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate?
You can request a quote for pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.