(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate
TL;DR: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate (CAS 1164528-01-1) is a chemical compound with molecular formula C20H12FNO5S and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate
Also Known As: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate, [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate, (2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzene-1-sulfonate, 3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-fluorobenzenesulfonate, (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzenesulfonate
| Molecular Formula | C20H12FNO5S |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 3.6046 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.04202 |
| Heavy Atoms | 28 |
| Complexity | 1189.0255 |
Chemical Identifiers
| CAS Number | 1164528-01-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate (CAS 1164528-01-1), with molecular formula C20H12FNO5S and molecular weight 397.04 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzenesulfonate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate
Property Insights of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate
The XLogP value of 3.6046 indicates that (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate 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 (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate?
The CAS number of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate is 1164528-01-1.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate?
The molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate is C20H12FNO5S.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate?
The molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate is 397.04 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate?
You can request a quote for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate 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-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.