(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate
TL;DR: (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate (CAS 896822-78-9) is a chemical compound with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 2-chloroacetate
Also Known As: VU0616912-1, (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate, [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 2-chloroacetate, F3385-1712, (2Z)-3-oxo-2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-chloroacetate
| Molecular Formula | C17H11ClO4 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 3.447 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03458 |
| Heavy Atoms | 22 |
| Complexity | 765.48334 |
Chemical Identifiers
| CAS Number | 896822-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)CCl |
Product Overview
(2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate (CAS 896822-78-9), with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol. IUPAC: [(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] 2-chloroacetate.
Chemical Property Profile of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate
Property Insights of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate
The XLogP value of 3.447 indicates that (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate 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-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate has 0 hydrogen bond donor(s) and 4 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 (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate?
The CAS number of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate is 896822-78-9.
What is the molecular formula of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate?
The molecular formula of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate is C17H11ClO4.
What is the molecular weight of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate?
The molecular weight of (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate is 314.03 g/mol.
Where can I buy (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate?
You can request a quote for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-benzylidene-3-oxo-2,3-dihydro-1-benzofuran-6-yl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.