(Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
TL;DR: (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 622359-33-5) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-methylpropanoate
Also Known As: (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate, F3385-0425, (2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate, [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-methylpropanoate, 3-oxo-2-[(2,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl 2-methylprop anoate
| Molecular Formula | C22H22O7 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 3.89 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13657 |
| Heavy Atoms | 29 |
| Complexity | 988.89557 |
Chemical Identifiers
| CAS Number | 622359-33-5 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/O2 |
Product Overview
(Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate (CAS 622359-33-5), with molecular formula C22H22O7 and molecular weight 398.14 g/mol. IUPAC: [(2Z)-3-oxo-2-[(2,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
Property Insights of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate
The XLogP value of 3.89 indicates that (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate 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 (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The CAS number of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is 622359-33-5.
What is the molecular formula of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular formula of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is C22H22O7.
What is the molecular weight of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
The molecular weight of (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate is 398.14 g/mol.
Where can I buy (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
You can request a quote for (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-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)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.