![5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid structure](/static/products/2531/253178-82-4.webp)
5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
TL;DR: 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid (CAS 253178-82-4) is a chemical compound with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
Also Known As: 5-oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid, Maybridge1_007328, 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid, 8439AD, 5-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid
| Molecular Formula | C13H12F3NO3 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.1385 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07693 |
| Heavy Atoms | 20 |
| Complexity | 524.6581 |
Chemical Identifiers
| CAS Number | 253178-82-4 |
|---|---|
| SMILES | C1C(CN(C1=O)CC2=CC=C(C=C2)C(F)(F)F)C(=O)O |
Product Overview
5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid (CAS 253178-82-4), with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol. IUPAC: 5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
Property Insights of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
The XLogP value of 2.1385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid?
The CAS number of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid is 253178-82-4.
What is the molecular formula of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid?
The molecular formula of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid is C13H12F3NO3.
What is the molecular weight of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid?
The molecular weight of 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid is 287.08 g/mol.
Where can I buy 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid?
You can request a quote for 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-1-[4-(trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.