![3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate structure](/static/products/6228/622801-60-9.webp)
3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate
TL;DR: 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate (CAS 622801-60-9) is a chemical compound with molecular formula C25H16O6 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate, (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate, (2Z)-3-OXO-2-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2,3-DIHYDRO-1-BENZOFURAN-6-YL 2H-1,3-BENZODIOXOLE-5-CARBOXYLATE, (Z)-3-oxo-2-((E)-3-phenylallylidene)-2,3-dihydrobenzofuran-6-yl benzo[d][1,3]dioxole-5-carboxylate, [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate
| Molecular Formula | C25H16O6 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 4.8069 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.0947 |
| Heavy Atoms | 31 |
| Complexity | 1240.122 |
Chemical Identifiers
| CAS Number | 622801-60-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C/C=C/C5=CC=CC=C5)/O4 |
Product Overview
3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate (CAS 622801-60-9), with molecular formula C25H16O6 and molecular weight 412.09 g/mol. IUPAC: [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate
Property Insights of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate
The XLogP value of 4.8069 indicates that 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate?
The CAS number of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate is 622801-60-9.
What is the molecular formula of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate is C25H16O6.
What is the molecular weight of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate is 412.09 g/mol.
Where can I buy 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-2-[(Z,2E)-3-phenyl-2-propenylidene]-1-benzofuran-6(3H)-yl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.