1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid (CAS 133992-80-0) is a chemical compound with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid
Also Known As: N-acetyl-3-cyclopropylalanine, 1-(4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid, 1-(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)proline, 1-(4,4,4-Trifluoro-3-oxo-but-1-enyl)-pyrrolidine-2-carboxylic acid, 1-(4,4,4-trifluoro-3-oxo-but-1-enyl)pyrrolidine-2-carboxylic Acid
| Molecular Formula | C9H10F3NO3 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.1805 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06128 |
| Heavy Atoms | 16 |
| Complexity | 324.4511 |
Chemical Identifiers
| CAS Number | 133992-80-0 |
|---|---|
| SMILES | C1CC(N(C1)C=CC(=O)C(F)(F)F)C(=O)O |
Product Overview
1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid (CAS 133992-80-0), with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol. IUPAC: 1-(4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.1805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid has 1 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 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid is 133992-80-0.
What is the molecular formula of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid is C9H10F3NO3.
What is the molecular weight of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid is 237.06 g/mol.
Where can I buy 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4,4-Trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.