![[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate structure](/static/products/1164/1164461-89-5.webp)
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate
TL;DR: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate (CAS 1164461-89-5) is a chemical compound with molecular formula C21H13NO4 and molecular weight 343.08 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] benzoate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzoate, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl benzoate, 3-oxo-2-(4-pyridylmethylene)benzo[3,4-b]furan-6-yl benzoate, Benzoic acid 3-oxo-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester
| Molecular Formula | C21H13NO4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.917 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.08447 |
| Heavy Atoms | 26 |
| Complexity | 1010.6958 |
Chemical Identifiers
| CAS Number | 1164461-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 |
Product Overview
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate (CAS 1164461-89-5), with molecular formula C21H13NO4 and molecular weight 343.08 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate.
Chemical Property Profile of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate
Property Insights of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate
The XLogP value of 3.917 indicates that [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate 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 [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate. Following Lipinski's Rule of Five, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate 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 [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate?
The CAS number of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate is 1164461-89-5.
What is the molecular formula of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate?
The molecular formula of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate is C21H13NO4.
What is the molecular weight of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate?
The molecular weight of [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate is 343.08 g/mol.
Where can I buy [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate?
You can request a quote for [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.