4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate
TL;DR: 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate (CAS 1010118-48-5) is a chemical compound with molecular formula C21H15FO4S and molecular weight 382.0675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzenesulfonate
Also Known As: 4-(3-oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate, [4-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzenesulfonate, 4-(3-oxo-3-phenylprop-1-enyl)phenyl 4-fluorobenzene-1-sulphonate
Technical Specifications
| Molecular Formula | C21H15FO4S |
| Molecular Weight | 382.0675 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.0675 Da |
| Heavy Atoms | 27 |
| Complexity | 603.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F |
| InChIKey | YMOCKJOIASMJTF-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate
Property Insights of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate
The XLogP value of 4.9 indicates that 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate 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
What is the CAS number of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate?
The CAS number of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate is 1010118-48-5.
What is the molecular formula of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate?
The molecular formula of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate is C21H15FO4S.
What is the molecular weight of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate?
The molecular weight of 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate is 382.0675 g/mol.
Where can I buy 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate?
You can request a quote for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.