(2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
TL;DR: (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate (CAS 896831-59-7) is a chemical compound with molecular formula C19H14Cl2O4 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
Also Known As: (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate, (Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate, [(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate, 2-[(2,6-dichlorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-methylpropanoa te, (2Z)-2-[(2,6-DICHLOROPHENYL)METHYLIDENE]-3-OXO-2,3-DIHYDRO-1-BENZOFURAN-6-YL 2-METHYLPROPANOATE
| Molecular Formula | C19H14Cl2O4 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 5.171 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.02692 |
| Heavy Atoms | 25 |
| Complexity | 880.04224 |
Chemical Identifiers
| CAS Number | 896831-59-7 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/O2 |
Product Overview
(2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate (CAS 896831-59-7), with molecular formula C19H14Cl2O4 and molecular weight 376.03 g/mol. IUPAC: [(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
Property Insights of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate
The XLogP value of 5.171 indicates that (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate 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-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate 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-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The CAS number of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is 896831-59-7.
What is the molecular formula of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The molecular formula of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is C19H14Cl2O4.
What is the molecular weight of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
The molecular weight of (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate is 376.03 g/mol.
Where can I buy (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
You can request a quote for (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(2,6-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.