4-Benzoylphenol trifluoromethanesulfonate
TL;DR: 4-Benzoylphenol trifluoromethanesulfonate (CAS 124643-34-1) is a chemical compound with molecular formula C14H9F3O4S and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C14H9F3O4S |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 3.146 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01736 |
| Heavy Atoms | 22 |
| Complexity | 765.9853 |
Chemical Identifiers
| CAS Number | 124643-34-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F |
Product Overview
4-Benzoylphenol trifluoromethanesulfonate (CAS 124643-34-1), with molecular formula C14H9F3O4S and molecular weight 330.02 g/mol. IUPAC: (4-benzoylphenyl) trifluoromethanesulfonate.
Chemical Property Profile of 4-Benzoylphenol trifluoromethanesulfonate
Property Insights of 4-Benzoylphenol trifluoromethanesulfonate
The XLogP value of 3.146 indicates that 4-Benzoylphenol trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 330.02 g/mol.
Where can I buy 4-Benzoylphenol trifluoromethanesulfonate?
You can request a quote for 4-Benzoylphenol trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoylphenol trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoylphenol trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.