(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 1998-86-3) 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.
(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: BAS 04900435, 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid, (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C11H10FNO3 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06447 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 1998-86-3 |
|---|---|
| SMILES | C1[C@@H](CN(C1=O)C2=CC=CC=C2F)C(=O)O |
| InChIKey | SPNFIZUVZRKIQZ-ZETCQYMHSA-N |
Product Overview
(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 1998-86-3), with molecular formula C11H10FNO3 and molecular weight 223.06 g/mol. IUPAC: (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is 1998-86-3.
What is the molecular formula of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is C11H10FNO3.
What is the molecular weight of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid is 223.06 g/mol.
Where can I buy (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for (3S)-1-(2-fluorophenyl)-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 (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.