2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate (CAS 6228-06-4) is a chemical compound with molecular formula C16H10BrF3O3 and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
Also Known As: 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate, BIM-0018635.P001, [2-(4-bromophenyl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
| Molecular Formula | C16H10BrF3O3 |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 4.5076 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.97653 |
| Heavy Atoms | 23 |
| Complexity | 724.09546 |
Chemical Identifiers
| CAS Number | 6228-06-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)C(F)(F)F |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate (CAS 6228-06-4), with molecular formula C16H10BrF3O3 and molecular weight 385.98 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate
The XLogP value of 4.5076 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 3 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 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate is 6228-06-4.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate is C16H10BrF3O3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate is 385.98 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 2-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.