methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858760-90-4) is a chemical compound with molecular formula C26H18O6 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[3-oxo-6-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, Methyl 4-[[3-oxo-6-(3-phenylprop-2-enoyloxy)benzofuran-2-ylidene]methyl]benzoate, 2-{[4-(methoxycarbonyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl (2E)-3-ph enylprop-2-enoate, methyl 4-[(Z)-[3-oxo-6-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-{(Z)-[3-oxo-6-{[(2E)-3-phenylprop-2-enoyl]oxy}-1-benzofuran-2(3H)-ylidene]methyl}benzoate
| Molecular Formula | C26H18O6 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 4.7082 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.11035 |
| Heavy Atoms | 32 |
| Complexity | 1237.0686 |
Chemical Identifiers
| CAS Number | 858760-90-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858760-90-4), with molecular formula C26H18O6 and molecular weight 426.11 g/mol. IUPAC: methyl 4-[(Z)-[3-oxo-6-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 4.7082 indicates that methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate 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 methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 858760-90-4.
What is the molecular formula of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C26H18O6.
What is the molecular weight of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 426.11 g/mol.
Where can I buy methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((Z)-(6-(cinnamoyloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.