5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
TL;DR: 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid (CAS 86393-34-2) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
Also Known As: 1-mesityl-5-oxopyrrolidine-3-carboxylic acid, 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid, 5-Oxo-1-(2,4,6-trimethyl-phenyl)-pyrrolidine-3-carboxylic acid, BAS 03277208, 2,4-Dichloro-5-fluorobenzoyl chloride
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.04936 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 498.76553 |
Chemical Identifiers
| CAS Number | 86393-34-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2CC(CC2=O)C(=O)O)C |
Product Overview
5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid (CAS 86393-34-2), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
Property Insights of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 2.04936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-1-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The CAS number of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is 86393-34-2.
What is the molecular formula of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is C14H17NO3.
What is the molecular weight of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is 247.12 g/mol.
Where can I buy 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for 5-Oxo-1-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.