4-Benzoylphenol trifluoromethanesulfonate
TL;DR: 4-Benzoylphenol trifluoromethanesulfonate (CAS 124643-34-1) is a chemical compound with molecular formula C14H9F3O4S and molecular weight 330.01736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-benzoylphenyl) trifluoromethanesulfonate
Also Known As: ghl.PD_Mitscher_leg0.1286, 4-Benzoylphenol trifluoromethanesulfonate, 4-Benzoylphenyl trifluoromethanesulfonate, (4-benzoylphenyl) trifluoromethanesulfonate, Trifluoromethanesulfonic acid 4-benzoylphenyl ester
Technical Specifications
| Molecular Formula | C14H9F3O4S |
| Molecular Weight | 330.01736 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01736 Da |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F |
| InChIKey | YWDULCIXFKMGHB-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzoylphenol trifluoromethanesulfonate
Property Insights of 4-Benzoylphenol trifluoromethanesulfonate
The XLogP value of 4.0 indicates that 4-Benzoylphenol trifluoromethanesulfonate 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-Benzoylphenol trifluoromethanesulfonate. Following Lipinski's Rule of Five, 4-Benzoylphenol trifluoromethanesulfonate 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
What is the CAS number of 4-Benzoylphenol trifluoromethanesulfonate?
The CAS number of 4-Benzoylphenol trifluoromethanesulfonate is 124643-34-1.
What is the molecular formula of 4-Benzoylphenol trifluoromethanesulfonate?
The molecular formula of 4-Benzoylphenol trifluoromethanesulfonate is C14H9F3O4S.
What is the molecular weight of 4-Benzoylphenol trifluoromethanesulfonate?
The molecular weight of 4-Benzoylphenol trifluoromethanesulfonate is 330.01736 g/mol.
Where can I buy 4-Benzoylphenol trifluoromethanesulfonate?
You can request a quote for 4-Benzoylphenol trifluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzoylphenol trifluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-Benzoylphenol trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.