![[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid structure](/static/products/1033/1033600-27-9.webp)
[1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid
TL;DR: [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid (CAS 1033600-27-9) is a chemical compound with molecular formula C13H14ClFN2O3 and molecular weight 300.0677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
Also Known As: starbld0014668, BAS 12399077, 2-(1-(2-Chloro-6-fluorobenzyl)-3-oxopiperazin-2-yl)acetic acid, [1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid, AB00681798-01
Technical Specifications
| Molecular Formula | C13H14ClFN2O3 |
| Molecular Weight | 300.0677 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0677 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | C1CN(C(C(=O)N1)CC(=O)O)CC2=C(C=CC=C2Cl)F |
| InChIKey | JLLRUAZHNVGNRA-UHFFFAOYSA-N |
Chemical Property Profile of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid
Property Insights of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid
The XLogP value of -1.1 indicates that [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid. Following Lipinski's Rule of Five, [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid?
The CAS number of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is 1033600-27-9.
What is the molecular formula of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid?
The molecular formula of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is C13H14ClFN2O3.
What is the molecular weight of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid?
The molecular weight of [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid is 300.0677 g/mol.
Where can I buy [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid?
You can request a quote for [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid?
Yes, CoreyChem provides custom synthesis services for [1-(2-Chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.