![ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate structure](/static/products/620/620546-63-6.png)
ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate
TL;DR: ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate (CAS 620546-63-6) is a chemical compound with molecular formula C24H26O5 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
Also Known As: ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate, ethyl 2-(2-{[4-(tert-butyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yloxy)pr opanoate, ethyl 2-[[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate, (Z)-ethyl 2-((2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)propanoate
| Molecular Formula | C24H26O5 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 4.9307 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.178 |
| Heavy Atoms | 29 |
| Complexity | 948.22656 |
Chemical Identifiers
| CAS Number | 620546-63-6 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/O2 |
Product Overview
ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate (CAS 620546-63-6), with molecular formula C24H26O5 and molecular weight 394.18 g/mol. IUPAC: ethyl 2-[[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate.
Chemical Property Profile of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate
Property Insights of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate
The XLogP value of 4.9307 indicates that ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate. Following Lipinski's Rule of Five, ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}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 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate?
The CAS number of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate is 620546-63-6.
What is the molecular formula of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate?
The molecular formula of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate is C24H26O5.
What is the molecular weight of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate?
The molecular weight of ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate is 394.18 g/mol.
Where can I buy ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate?
You can request a quote for ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.