(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate
TL;DR: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate (CAS 1164482-15-8) is a chemical compound with molecular formula C20H13NO5S and molecular weight 379.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate
Also Known As: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate, [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] benzenesulfonate, F3385-2470, (2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl benzenesulfonate, 3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl benzenesulfonate
Technical Specifications
| Molecular Formula | C20H13NO5S |
| Molecular Weight | 379.05145 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.05145 Da |
| Heavy Atoms | 27 |
| Complexity | 677.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 |
| InChIKey | HQTIBPLHNWHEGJ-ODLFYWEKSA-N |
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate
Property Insights of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate
The XLogP value of 3.6 indicates that (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate 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
What is the CAS number of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate?
The CAS number of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate is 1164482-15-8.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate?
The molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate is C20H13NO5S.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate?
The molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate is 379.05145 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate?
You can request a quote for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.