3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate
TL;DR: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate (CAS 329224-00-2) is a chemical compound with molecular formula C20H14BrF3O5 and molecular weight 470.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] butanoate
Also Known As: AB00145151-03, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate, [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] butanoate, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butyrate
| Molecular Formula | C20H14BrF3O5 |
|---|---|
| Molecular Weight | 470.00 g/mol |
| LogP | 6.0721 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.99768 |
| Heavy Atoms | 29 |
| Complexity | 1121.2803 |
Chemical Identifiers
| CAS Number | 329224-00-2 |
|---|---|
| SMILES | CCCC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate (CAS 329224-00-2), with molecular formula C20H14BrF3O5 and molecular weight 470.00 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] butanoate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate
Property Insights of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate
The XLogP value of 6.0721 indicates that 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate 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-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate 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-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate is 329224-00-2.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate is C20H14BrF3O5.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate is 470.00 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.