![ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate structure](/static/products/858/858752-63-3.png)
ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
TL;DR: ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate (CAS 858752-63-3) is a chemical compound with molecular formula C22H21BrO5 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[7-[(2-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate
Also Known As: EiM07-28321, ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate, ethyl 3-[7-[(2-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate, ethyl 3-(7-((2-bromobenzyl)oxy)-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, Ethyl 3-[7-[(2-bromophenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoate
| Molecular Formula | C22H21BrO5 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.93862 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.05725 |
| Heavy Atoms | 28 |
| Complexity | 1054.4667 |
Chemical Identifiers
| CAS Number | 858752-63-3 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3Br)OC1=O)C |
Product Overview
ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate (CAS 858752-63-3), with molecular formula C22H21BrO5 and molecular weight 444.06 g/mol. IUPAC: ethyl 3-[7-[(2-bromophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Property Insights of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
The XLogP value of 4.93862 indicates that ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate 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 ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate. Following Lipinski's Rule of Five, ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The CAS number of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is 858752-63-3.
What is the molecular formula of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The molecular formula of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is C22H21BrO5.
What is the molecular weight of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
The molecular weight of ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate is 444.06 g/mol.
Where can I buy ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
You can request a quote for ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{7-[(2-bromobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.