3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
TL;DR: 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 263744-92-9) is a chemical compound with molecular formula C18H10ClF3O5 and molecular weight 398.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate, [3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
| Molecular Formula | C18H10ClF3O5 |
|---|---|
| Molecular Weight | 398.02 g/mol |
| LogP | 5.1828 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.01688 |
| Heavy Atoms | 27 |
| Complexity | 1071.2777 |
Chemical Identifiers
| CAS Number | 263744-92-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 263744-92-9), with molecular formula C18H10ClF3O5 and molecular weight 398.02 g/mol. IUPAC: [3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Property Insights of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
The XLogP value of 5.1828 indicates that 3-(4-chlorophenoxy)-4-oxo-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 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(4-chlorophenoxy)-4-oxo-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 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The CAS number of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 263744-92-9.
What is the molecular formula of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular formula of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is C18H10ClF3O5.
What is the molecular weight of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular weight of 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 398.02 g/mol.
Where can I buy 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
You can request a quote for 3-(4-chlorophenoxy)-4-oxo-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 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.