1-(4-Fluorobenzyl)-5-oxoproline
TL;DR: 1-(4-Fluorobenzyl)-5-oxoproline (CAS 66183-72-0) 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-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Also Known As: 1-(4-fluorobenzyl)-5-oxoproline, ChemDiv2_003417, Proline, 1-[(4-fluorophenyl)methyl]-5-oxo-, 1-(4-Fluorobenzyl)-5-oxopyrrolidine-2-carboxylic acid, 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
| Molecular Formula | C12H12FNO3 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.4013 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.08012 |
| Heavy Atoms | 17 |
| Complexity | 443.56888 |
Chemical Identifiers
| CAS Number | 66183-72-0 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)O)CC2=CC=C(C=C2)F |
Product Overview
1-(4-Fluorobenzyl)-5-oxoproline (CAS 66183-72-0), with molecular formula C12H12FNO3 and molecular weight 237.08 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(4-Fluorobenzyl)-5-oxoproline
Property Insights of 1-(4-Fluorobenzyl)-5-oxoproline
The XLogP value of 1.4013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzyl)-5-oxoproline. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(4-Fluorobenzyl)-5-oxoproline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzyl)-5-oxoproline 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-(4-Fluorobenzyl)-5-oxoproline?
The CAS number of 1-(4-Fluorobenzyl)-5-oxoproline is 66183-72-0.
What is the molecular formula of 1-(4-Fluorobenzyl)-5-oxoproline?
The molecular formula of 1-(4-Fluorobenzyl)-5-oxoproline is C12H12FNO3.
What is the molecular weight of 1-(4-Fluorobenzyl)-5-oxoproline?
The molecular weight of 1-(4-Fluorobenzyl)-5-oxoproline is 237.08 g/mol.
Where can I buy 1-(4-Fluorobenzyl)-5-oxoproline?
You can request a quote for 1-(4-Fluorobenzyl)-5-oxoproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzyl)-5-oxoproline?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzyl)-5-oxoproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.