(Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate
TL;DR: (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate (CAS 622366-95-4) is a chemical compound with molecular formula C21H13BrO5 and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate
Also Known As: (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate, [2-[(5-methyl-2-furyl)methylidene]-3-oxo-benzofuran-6-yl] 2-bromobenzoate, [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate, 2-[(5-methyl(2-furyl))methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-bromobenzoate, (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-bromobenzoate
| Molecular Formula | C21H13BrO5 |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 5.18592 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.99463 |
| Heavy Atoms | 27 |
| Complexity | 1093.4563 |
Chemical Identifiers
| CAS Number | 622366-95-4 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CC=C4Br |
Product Overview
(Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate (CAS 622366-95-4), with molecular formula C21H13BrO5 and molecular weight 423.99 g/mol. IUPAC: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate.
Chemical Property Profile of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate
Property Insights of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate
The XLogP value of 5.18592 indicates that (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate. Following Lipinski's Rule of Five, (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate 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 (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate?
The CAS number of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate is 622366-95-4.
What is the molecular formula of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate?
The molecular formula of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate is C21H13BrO5.
What is the molecular weight of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate?
The molecular weight of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate is 423.99 g/mol.
Where can I buy (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate?
You can request a quote for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate 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-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.