2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
TL;DR: 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate (CAS 622800-66-2) is a chemical compound with molecular formula C23H13FO6 and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate, AO-022/42313250, [(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate, (2Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate, (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl benzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C23H13FO6 |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 4.3898 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0696 |
| Heavy Atoms | 30 |
| Complexity | 1230.113 |
Chemical Identifiers
| CAS Number | 622800-66-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C/C5=CC(=CC=C5)F)/O4 |
Product Overview
2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate (CAS 622800-66-2), with molecular formula C23H13FO6 and molecular weight 404.07 g/mol. IUPAC: [(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
Property Insights of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
The XLogP value of 4.3898 indicates that 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-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 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-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 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate?
The CAS number of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate is 622800-66-2.
What is the molecular formula of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate is C23H13FO6.
What is the molecular weight of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate is 404.07 g/mol.
Where can I buy 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-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 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.