(Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate
TL;DR: (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate (CAS 622798-05-4) is a chemical compound with molecular formula C26H22O7 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate
Also Known As: (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate, (2Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate, [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate, [2-[(2-methylphenyl)methylidene]-3-oxo-benzofuran-6-yl] 3,4,5-trimethoxybenzoate, 2-[(2-methylphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 3,4,5-trimethoxybenz oate
| Molecular Formula | C26H22O7 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.85622 |
| Topological Polar Surface Area | 80.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.13657 |
| Heavy Atoms | 33 |
| Complexity | 1248.3772 |
Chemical Identifiers
| CAS Number | 622798-05-4 |
|---|---|
| SMILES | CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
(Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate (CAS 622798-05-4), with molecular formula C26H22O7 and molecular weight 446.14 g/mol. IUPAC: [(2Z)-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate
Property Insights of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate
The XLogP value of 4.85622 indicates that (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate 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)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate 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)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate?
The CAS number of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate is 622798-05-4.
What is the molecular formula of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate?
The molecular formula of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate is C26H22O7.
What is the molecular weight of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate?
The molecular weight of (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate is 446.14 g/mol.
Where can I buy (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate?
You can request a quote for (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate 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-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.