(Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate
TL;DR: (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 858769-71-8) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
Also Known As: (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate, (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate, F3139-2106, [(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate, (2Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.8728 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 864.14026 |
Chemical Identifiers
| CAS Number | 858769-71-8 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3OC)/O2 |
Product Overview
(Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 858769-71-8), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: [(2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate
Property Insights of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate
The XLogP value of 3.8728 indicates that (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate 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 (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate. Following Lipinski's Rule of Five, (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate 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 (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate?
The CAS number of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate is 858769-71-8.
What is the molecular formula of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular formula of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate is C20H18O5.
What is the molecular weight of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular weight of (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate is 338.12 g/mol.
Where can I buy (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate?
You can request a quote for (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.