(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
TL;DR: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate (CAS 622802-70-4) is a chemical compound with molecular formula C21H12FNO4 and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate, F3385-0385, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzoate, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate, 3-oxo-2-(4-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-fluorobenzoate
| Molecular Formula | C21H12FNO4 |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 4.0561 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.07504 |
| Heavy Atoms | 27 |
| Complexity | 1059.2996 |
Chemical Identifiers
| CAS Number | 622802-70-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3)F |
Product Overview
(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate (CAS 622802-70-4), with molecular formula C21H12FNO4 and molecular weight 361.08 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
Property Insights of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate
The XLogP value of 4.0561 indicates that (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 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 (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The CAS number of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is 622802-70-4.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is C21H12FNO4.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
The molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate is 361.08 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
You can request a quote for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.