![ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate structure](/static/products/3161/316126-70-2.webp)
ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate
TL;DR: ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate (CAS 316126-70-2) is a chemical compound with molecular formula C21H19BrO6 and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxybutanoate
Also Known As: AB00953186-02, AE-641/40792368, ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate, ethyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxybutanoate, ethyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yloxy]butanoate
| Molecular Formula | C21H19BrO6 |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 5.0683 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.0365 |
| Heavy Atoms | 28 |
| Complexity | 1042.4904 |
Chemical Identifiers
| CAS Number | 316126-70-2 |
|---|---|
| SMILES | CCC(C(=O)OCC)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3Br |
Product Overview
ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate (CAS 316126-70-2), with molecular formula C21H19BrO6 and molecular weight 446.04 g/mol. IUPAC: ethyl 2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxybutanoate.
Chemical Property Profile of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate
Property Insights of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate
The XLogP value of 5.0683 indicates that ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate. Following Lipinski's Rule of Five, ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The CAS number of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate is 316126-70-2.
What is the molecular formula of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The molecular formula of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate is C21H19BrO6.
What is the molecular weight of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate?
The molecular weight of ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate is 446.04 g/mol.
Where can I buy ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate?
You can request a quote for ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.