![Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate structure](/static/products/3292/329225-90-3.webp)
Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
TL;DR: Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate (CAS 329225-90-3) is a chemical compound with molecular formula C22H18ClF3O5 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: butyl 2-((3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, butyl {[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate, butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate, BUTYL 2-{[3-(4-CHLOROPHENYL)-4-OXO-2-(TRIFLUOROMETHYL)-4H-CHROMEN-7-YL]OXY}ACETATE
| Molecular Formula | C22H18ClF3O5 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 5.8543 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.0795 |
| Heavy Atoms | 31 |
| Complexity | 1136.822 |
Chemical Identifiers
| CAS Number | 329225-90-3 |
|---|---|
| SMILES | CCCCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate (CAS 329225-90-3), with molecular formula C22H18ClF3O5 and molecular weight 454.08 g/mol. IUPAC: butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
Property Insights of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate
The XLogP value of 5.8543 indicates that Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]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 Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate. Following Lipinski's Rule of Five, Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]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 Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The CAS number of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is 329225-90-3.
What is the molecular formula of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The molecular formula of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is C22H18ClF3O5.
What is the molecular weight of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
The molecular weight of Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate is 454.08 g/mol.
Where can I buy Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
You can request a quote for Butyl 2-[3-(4-chlorophenyl)-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 Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yloxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.