(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
TL;DR: (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate (CAS 622359-58-4) is a chemical compound with molecular formula C23H24O4 and molecular weight 364.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
Also Known As: (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate, (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate, [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate, [3-oxo-2-[(4-tert-butylphenyl)methylidene]benzofuran-6-yl] 2-methylpropanoate, 2-{[4-(tert-butyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl 2-methylpropan oate
| Molecular Formula | C23H24O4 |
|---|---|
| Molecular Weight | 364.17 g/mol |
| LogP | 5.1617 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.16745 |
| Heavy Atoms | 27 |
| Complexity | 912.3848 |
Chemical Identifiers
| CAS Number | 622359-58-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C(C)(C)C)/O2 |
Product Overview
(2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate (CAS 622359-58-4), with molecular formula C23H24O4 and molecular weight 364.17 g/mol. IUPAC: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
Property Insights of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
The XLogP value of 5.1617 indicates that (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The CAS number of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is 622359-58-4.
What is the molecular formula of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The molecular formula of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is C23H24O4.
What is the molecular weight of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The molecular weight of (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is 364.17 g/mol.
Where can I buy (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
You can request a quote for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.