(2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
TL;DR: (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate (CAS 858764-45-1) is a chemical compound with molecular formula C28H22O6 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate, (Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 5-ethoxy-2-methylbenzofuran-3-carboxylate, [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate, [2-[(4-methylphenyl)methylidene]-3-oxo-benzofuran-6-yl] 5-ethoxy-2-methyl-benzofuran-3-carboxylate, 2-[(4-methylphenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 5-ethoxy-2-methylben zo[b]furan-3-carboxylate
| Molecular Formula | C28H22O6 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 6.28374 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.14163 |
| Heavy Atoms | 34 |
| Complexity | 1456.5355 |
Chemical Identifiers
| CAS Number | 858764-45-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C/C5=CC=C(C=C5)C)/O4)C |
Product Overview
(2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate (CAS 858764-45-1), with molecular formula C28H22O6 and molecular weight 454.14 g/mol. IUPAC: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Property Insights of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 6.28374 indicates that (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 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-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is 858764-45-1.
What is the molecular formula of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is C28H22O6.
What is the molecular weight of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is 454.14 g/mol.
Where can I buy (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate 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-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.