(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate
TL;DR: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate (CAS 1164522-53-5) is a chemical compound with molecular formula C23H17NO6 and molecular weight 403.11 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] 2,6-dimethoxybenzoate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate, VU0273080-2, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate, 2,6-Dimethoxy-benzoic acid 3-oxo-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester
| Molecular Formula | C23H17NO6 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 3.9342 |
| Topological Polar Surface Area | 83.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1056 |
| Heavy Atoms | 30 |
| Complexity | 1131.3599 |
Chemical Identifiers
| CAS Number | 1164522-53-5 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 |
Product Overview
(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate (CAS 1164522-53-5), with molecular formula C23H17NO6 and molecular weight 403.11 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate
Property Insights of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate
The XLogP value of 3.9342 indicates that (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 2,6-dimethoxybenzoate?
The CAS number of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is 1164522-53-5.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate?
The molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is C23H17NO6.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate?
The molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is 403.11 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate?
You can request a quote for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate 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 2,6-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.