![ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate structure](/static/products/5787/578736-72-8.webp)
ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
TL;DR: ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate (CAS 578736-72-8) is a chemical compound with molecular formula C21H25ClO7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[6-chloro-4-methyl-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxochromen-3-yl]propanoate
Also Known As: ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate, ethyl 3-(7-(2-(tert-butoxy)-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl)propanoate, ethyl 3-[6-chloro-4-methyl-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxochromen-3-yl]propanoate, ETHYL 3-{7-[2-(TERT-BUTOXY)-2-OXOETHOXY]-6-CHLORO-4-METHYL-2-OXO-2H-CHROMEN-3-YL}PROPANOATE
| Molecular Formula | C21H25ClO7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.97102 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.12888 |
| Heavy Atoms | 29 |
| Complexity | 969.62415 |
Chemical Identifiers
| CAS Number | 578736-72-8 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC(=O)OC(C)(C)C)Cl)C |
Product Overview
ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate (CAS 578736-72-8), with molecular formula C21H25ClO7 and molecular weight 424.13 g/mol. IUPAC: ethyl 3-[6-chloro-4-methyl-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
Property Insights of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate
The XLogP value of 3.97102 indicates that ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-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 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate. Following Lipinski's Rule of Five, ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate has 0 hydrogen bond donor(s) and 7 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-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The CAS number of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is 578736-72-8.
What is the molecular formula of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The molecular formula of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is C21H25ClO7.
What is the molecular weight of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
The molecular weight of ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate is 424.13 g/mol.
Where can I buy ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
You can request a quote for ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-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-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[7-(2-tert-butoxy-2-oxoethoxy)-6-chloro-4-methyl-2-oxo-2H-chromen-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.