(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate
TL;DR: (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate (CAS 858765-89-6) is a chemical compound with molecular formula C29H28O7 and molecular weight 488.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-tert-butylbenzoate
Also Known As: (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate, [3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]benzofuran-6-yl] 4-tert-butylbenzoate, 3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzo[3,4-b]furan-6-yl 4-(tert-buty l)benzoate, (Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate, [(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-tert-butylbenzoate
| Molecular Formula | C29H28O7 |
|---|---|
| Molecular Weight | 488.18 g/mol |
| LogP | 5.8453 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1835 |
| Heavy Atoms | 36 |
| Complexity | 1320.021 |
Chemical Identifiers
| CAS Number | 858765-89-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C(=C4)OC)OC)OC)/O3 |
Product Overview
(2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate (CAS 858765-89-6), with molecular formula C29H28O7 and molecular weight 488.18 g/mol. IUPAC: [(2Z)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-tert-butylbenzoate.
Chemical Property Profile of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate
Property Insights of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate
The XLogP value of 5.8453 indicates that (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate 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 (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate. Following Lipinski's Rule of Five, (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate?
The CAS number of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate is 858765-89-6.
What is the molecular formula of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate?
The molecular formula of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate is C29H28O7.
What is the molecular weight of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate?
The molecular weight of (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate is 488.18 g/mol.
Where can I buy (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate?
You can request a quote for (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.