(Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
TL;DR: (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate (CAS 622812-69-5) is a chemical compound with molecular formula C16H11FO5S and molecular weight 334.03113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
Also Known As: (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate, F3385-0188, (2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate, [(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate, (2Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl methanesulfonate
Technical Specifications
| Molecular Formula | C16H11FO5S |
| Molecular Weight | 334.03113 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.03113 Da |
| Heavy Atoms | 23 |
| Complexity | 594.0 |
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)F)/O2 |
| InChIKey | QYMNFIRTKKPNBR-NVNXTCNLSA-N |
Chemical Property Profile of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
Property Insights of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate
The XLogP value of 3.2 indicates that (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate. Following Lipinski's Rule of Five, (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate 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)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The CAS number of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 622812-69-5.
What is the molecular formula of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular formula of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is C16H11FO5S.
What is the molecular weight of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
The molecular weight of (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate is 334.03113 g/mol.
Where can I buy (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
You can request a quote for (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for (Z)-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.