6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate
TL;DR: 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate (CAS 303093-80-3) is a chemical compound with molecular formula C22H18F3IO5 and molecular weight 546.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate
Also Known As: 6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-methylpropanoate, 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate, [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate, 6-ET-3-(4-IODOPHENOXY)-4-OXO-2-(TRIFLUORO-ME)-4H-CHROMEN-7-YL 2-METHYLPROPANOATE
| Molecular Formula | C22H18F3IO5 |
|---|---|
| Molecular Weight | 546.02 g/mol |
| LogP | 6.3325 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.01514 |
| Heavy Atoms | 31 |
| Complexity | 1180.9463 |
Chemical Identifiers
| CAS Number | 303093-80-3 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C(C)C)OC(=C(C2=O)OC3=CC=C(C=C3)I)C(F)(F)F |
Product Overview
6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate (CAS 303093-80-3), with molecular formula C22H18F3IO5 and molecular weight 546.02 g/mol. IUPAC: [6-ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylpropanoate.
Chemical Property Profile of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate
Property Insights of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate
The XLogP value of 6.3325 indicates that 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate 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 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate. Following Lipinski's Rule of Five, 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate 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 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate?
The CAS number of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate is 303093-80-3.
What is the molecular formula of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate?
The molecular formula of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate is C22H18F3IO5.
What is the molecular weight of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate?
The molecular weight of 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate is 546.02 g/mol.
Where can I buy 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate?
You can request a quote for 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-3-(4-iodophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.