(2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
TL;DR: (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate (CAS 622360-06-9) is a chemical compound with molecular formula C20H17BrO4 and molecular weight 400.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate
Also Known As: (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate, (Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl pivalate, [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate, [2-[(2-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl] 2,2-dimethylpropanoate, 2-[(2-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2,2-dimethylpropanoat e
| Molecular Formula | C20H17BrO4 |
|---|---|
| Molecular Weight | 400.03 g/mol |
| LogP | 5.0168 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.031 |
| Heavy Atoms | 25 |
| Complexity | 890.80945 |
Chemical Identifiers
| CAS Number | 622360-06-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3Br)/O2 |
Product Overview
(2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate (CAS 622360-06-9), with molecular formula C20H17BrO4 and molecular weight 400.03 g/mol. IUPAC: [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
Property Insights of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate
The XLogP value of 5.0168 indicates that (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The CAS number of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is 622360-06-9.
What is the molecular formula of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The molecular formula of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is C20H17BrO4.
What is the molecular weight of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
The molecular weight of (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate is 400.03 g/mol.
Where can I buy (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
You can request a quote for (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.