![methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate structure](/static/products/859/859134-15-9.webp)
methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate
TL;DR: methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate (CAS 859134-15-9) is a chemical compound with molecular formula C25H20O6 and molecular weight 416.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(Z)-[6-[(3-methoxyphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate, (Z)-methyl 4-((6-((3-methoxybenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-({6-[(3-methoxyphenyl)methoxy]-3-oxobenzo[d]furan-2-ylidene}methyl)be nzoate, methyl 4-[(Z)-[6-[(3-methoxyphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-[(Z)-{6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-ylidene}methyl]benzoate
Technical Specifications
| Molecular Formula | C25H20O6 |
| Molecular Weight | 416.12598 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.12598 Da |
| Heavy Atoms | 31 |
| Complexity | 665.0 |
| SMILES | COC1=CC=CC(=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)C(=O)OC)/O3 |
| InChIKey | LIVQGLQMPWBLLC-QRVIBDJDSA-N |
Chemical Property Profile of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate
Property Insights of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate
The XLogP value of 4.9 indicates that methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]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
What is the CAS number of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate?
The CAS number of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate is 859134-15-9.
What is the molecular formula of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate?
The molecular formula of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate is C25H20O6.
What is the molecular weight of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate?
The molecular weight of methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate is 416.12598 g/mol.
Where can I buy methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate?
You can request a quote for methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-{[6-[(3-methoxybenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-yliden]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.