(Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate
TL;DR: (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate (CAS 622357-94-2) is a chemical compound with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate
Also Known As: (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate, F3385-2007, (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate, [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate, (2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate
| Molecular Formula | C18H13BrO5 |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 3.9992 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.99463 |
| Heavy Atoms | 24 |
| Complexity | 869.708 |
Chemical Identifiers
| CAS Number | 622357-94-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/O2 |
Product Overview
(Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate (CAS 622357-94-2), with molecular formula C18H13BrO5 and molecular weight 387.99 g/mol. IUPAC: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate.
Chemical Property Profile of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate
Property Insights of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate
The XLogP value of 3.9992 indicates that (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate 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 (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate. Following Lipinski's Rule of Five, (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate has 0 hydrogen bond donor(s) and 5 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)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate?
The CAS number of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate is 622357-94-2.
What is the molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate?
The molecular formula of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate is C18H13BrO5.
What is the molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate?
The molecular weight of (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate is 387.99 g/mol.
Where can I buy (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate?
You can request a quote for (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.