(Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858767-86-9) is a chemical compound with molecular formula C26H20O7 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate
Also Known As: (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-[({(2Z)-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate, methyl 4-[(2-{[4-(methoxycarbonyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-y loxy)methyl]benzoate, methyl 4-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate, Methyl 4-[[2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-benzofuran-6-yl]oxymethyl]benzoate
| Molecular Formula | C26H20O7 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 4.455 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1209 |
| Heavy Atoms | 33 |
| Complexity | 1238.637 |
Chemical Identifiers
| CAS Number | 858767-86-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)C(=O)OC)/O3 |
Product Overview
(Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858767-86-9), with molecular formula C26H20O7 and molecular weight 444.12 g/mol. IUPAC: methyl 4-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 4.455 indicates that (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate 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)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 858767-86-9.
What is the molecular formula of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C26H20O7.
What is the molecular weight of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 444.12 g/mol.
Where can I buy (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-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 (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-((4-(methoxycarbonyl)benzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.