2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid
TL;DR: 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid (CAS 96056-51-8) is a chemical compound with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5,5,5-trifluoro-4-oxopentanoic acid
Also Known As: BOTFP, 2-benzyl-5,5,5-trifluoro-4-oxopentanoic acid, 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid, 2-benzyl-4-oxo-5,5,5,-trifluoropentanoicacid, 2-benzyl-4-oxo-5,5,5-trifluoro-pentanoic acid
| Molecular Formula | C12H11F3O3 |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.06604 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 96056-51-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)C(F)(F)F)C(=O)O |
| InChIKey | YFBZRNCKPGDTBO-UHFFFAOYSA-N |
Product Overview
2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid (CAS 96056-51-8), with molecular formula C12H11F3O3 and molecular weight 260.07 g/mol. IUPAC: 2-benzyl-5,5,5-trifluoro-4-oxopentanoic acid.
Chemical Property Profile of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid
Property Insights of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid has 1 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 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid?
The CAS number of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid is 96056-51-8.
What is the molecular formula of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid?
The molecular formula of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid is C12H11F3O3.
What is the molecular weight of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid?
The molecular weight of 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid is 260.07 g/mol.
Where can I buy 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid?
You can request a quote for 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-oxo-5,5,5,-trifluoropentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.