4-Acetylphenyl Trifluoromethanesulfonate
TL;DR: 4-Acetylphenyl Trifluoromethanesulfonate (CAS 109613-00-5) is a chemical compound with molecular formula C9H7F3O4S and molecular weight 268.0017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-acetylphenyl) trifluoromethanesulfonate
Also Known As: 4-Acetylphenyl trifluoromethanesulfonate, 4-Acetylphenyl triflate, (4-acetylphenyl) trifluoromethanesulfonate, 4-Acetylphenyltrifluoromethanesulfonate, 4-Acetylphenol trifluoromethanesulfonate
Technical Specifications
| Molecular Formula | C9H7F3O4S |
| Molecular Weight | 268.0017 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0017 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| InChIKey | RUMMIUOXQGFCEP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetylphenyl Trifluoromethanesulfonate
Property Insights of 4-Acetylphenyl Trifluoromethanesulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl Trifluoromethanesulfonate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl Trifluoromethanesulfonate. Following Lipinski's Rule of Five, 4-Acetylphenyl 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-Acetylphenyl Trifluoromethanesulfonate?
The CAS number of 4-Acetylphenyl Trifluoromethanesulfonate is 109613-00-5.
What is the molecular formula of 4-Acetylphenyl Trifluoromethanesulfonate?
The molecular formula of 4-Acetylphenyl Trifluoromethanesulfonate is C9H7F3O4S.
What is the molecular weight of 4-Acetylphenyl Trifluoromethanesulfonate?
The molecular weight of 4-Acetylphenyl Trifluoromethanesulfonate is 268.0017 g/mol.
Where can I buy 4-Acetylphenyl Trifluoromethanesulfonate?
You can request a quote for 4-Acetylphenyl Trifluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetylphenyl Trifluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-Acetylphenyl Trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.