![methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate structure](/static/products/622/622803-85-4.png)
methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate
TL;DR: methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate (CAS 622803-85-4) is a chemical compound with molecular formula C24H17BrO5 and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate
Also Known As: methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate, methyl 4-[[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate, Methyl 4-[[2-[(3-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl]oxymethyl]benzoate, (Z)-methyl 4-(((2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)methyl)benzoate, methyl 4-({[(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate
| Molecular Formula | C24H17BrO5 |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 5.4309 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.02594 |
| Heavy Atoms | 30 |
| Complexity | 1148.5128 |
Chemical Identifiers
| CAS Number | 622803-85-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)Br)/O3 |
Product Overview
methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate (CAS 622803-85-4), with molecular formula C24H17BrO5 and molecular weight 464.03 g/mol. IUPAC: methyl 4-[[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxymethyl]benzoate.
Chemical Property Profile of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate
Property Insights of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate
The XLogP value of 5.4309 indicates that methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate. Following Lipinski's Rule of Five, methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate?
The CAS number of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate is 622803-85-4.
What is the molecular formula of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate?
The molecular formula of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate is C24H17BrO5.
What is the molecular weight of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate?
The molecular weight of methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate is 464.03 g/mol.
Where can I buy methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate?
You can request a quote for methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}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-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yloxy}methyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.