4-Acetylphenyl 2,2,2-trifluoroacetate
TL;DR: 4-Acetylphenyl 2,2,2-trifluoroacetate (CAS 31083-17-7) is a chemical compound with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 2,2,2-trifluoroacetate
Also Known As: 4-Acetylphenyl 2,2,2-trifluoroacetate, 4-Acetylphenoltrifluoroacetate, 4-Acetylphenol trifluoroacetate, 4-Acetylphenyl trifluoroacetate, (4-acetylphenyl) 2,2,2-trifluoroacetate
| Molecular Formula | C10H7F3O3 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.03473 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 31083-17-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C(F)(F)F |
| InChIKey | UXWGCFVHORMHCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetylphenyl 2,2,2-trifluoroacetate (CAS 31083-17-7), with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol. IUPAC: (4-acetylphenyl) 2,2,2-trifluoroacetate.
Chemical Property Profile of 4-Acetylphenyl 2,2,2-trifluoroacetate
Property Insights of 4-Acetylphenyl 2,2,2-trifluoroacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl 2,2,2-trifluoroacetate. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Acetylphenyl 2,2,2-trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylphenyl 2,2,2-trifluoroacetate 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
Frequently Asked Questions
What is the CAS number of 4-Acetylphenyl 2,2,2-trifluoroacetate?
The CAS number of 4-Acetylphenyl 2,2,2-trifluoroacetate is 31083-17-7.
What is the molecular formula of 4-Acetylphenyl 2,2,2-trifluoroacetate?
The molecular formula of 4-Acetylphenyl 2,2,2-trifluoroacetate is C10H7F3O3.
What is the molecular weight of 4-Acetylphenyl 2,2,2-trifluoroacetate?
The molecular weight of 4-Acetylphenyl 2,2,2-trifluoroacetate is 232.03 g/mol.
Where can I buy 4-Acetylphenyl 2,2,2-trifluoroacetate?
You can request a quote for 4-Acetylphenyl 2,2,2-trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.