1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 346446-24-0) is a chemical compound with molecular formula C12H12FNO3 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid, BAS 04828602, 1-(2-Fluoro-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, AO-081/15572377, 1-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylicacid
| Molecular Formula | C12H12FNO3 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.57162 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.08012 |
| Heavy Atoms | 17 |
| Complexity | 486.63913 |
Chemical Identifiers
| CAS Number | 346446-24-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)N2CC(CC2=O)C(=O)O |
Product Overview
1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 346446-24-0), with molecular formula C12H12FNO3 and molecular weight 237.08 g/mol. IUPAC: 1-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.57162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-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 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 346446-24-0.
What is the molecular formula of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H12FNO3.
What is the molecular weight of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 237.08 g/mol.
Where can I buy 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-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 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.