(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate
TL;DR: (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate (CAS 858766-38-8) is a chemical compound with molecular formula C25H20O6 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
Also Known As: (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate, (Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-methylbenzoate, [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate, 2-[(3,4-dimethoxyphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoat e
| Molecular Formula | C25H20O6 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.84762 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.12598 |
| Heavy Atoms | 31 |
| Complexity | 1191.1342 |
Chemical Identifiers
| CAS Number | 858766-38-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)OC)OC)/O3 |
Product Overview
(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate (CAS 858766-38-8), with molecular formula C25H20O6 and molecular weight 416.13 g/mol. IUPAC: [(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate.
Chemical Property Profile of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate
Property Insights of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate
The XLogP value of 4.84762 indicates that (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate. Following Lipinski's Rule of Five, (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate has 0 hydrogen bond donor(s) and 6 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 (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate?
The CAS number of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate is 858766-38-8.
What is the molecular formula of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate?
The molecular formula of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate is C25H20O6.
What is the molecular weight of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate?
The molecular weight of (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate is 416.13 g/mol.
Where can I buy (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate?
You can request a quote for (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.