1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
TL;DR: 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (CAS 874781-08-5) is a chemical compound with molecular formula C11H10FNO3 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid, 2-chloro-3-fluorobenzonitrile, 1-(3-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid, 5745AE
| Molecular Formula | C11H10FNO3 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 1.2632 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06447 |
| Heavy Atoms | 16 |
| Complexity | 446.61075 |
Chemical Identifiers
| CAS Number | 874781-08-5 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC(=CC=C2)F)C(=O)O |
Product Overview
1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (CAS 874781-08-5), with molecular formula C11H10FNO3 and molecular weight 223.06 g/mol. IUPAC: 1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
Property Insights of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
The XLogP value of 1.2632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic 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-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid?
The CAS number of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid is 874781-08-5.
What is the molecular formula of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular formula of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid is C11H10FNO3.
What is the molecular weight of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular weight of 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid is 223.06 g/mol.
Where can I buy 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid?
You can request a quote for 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.