![2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid structure](/static/products/1033/1033600-01-9.webp)
2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
TL;DR: 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (CAS 1033600-01-9) is a chemical compound with molecular formula C13H14ClFN2O3 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
Also Known As: BAS 12633517, 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid, 2-[1-(4-Chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid, AB01297739-01, [1-(4-chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]acetic acid
| Molecular Formula | C13H14ClFN2O3 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 1.2542 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.0677 |
| Heavy Atoms | 20 |
| Complexity | 538.3476 |
Chemical Identifiers
| CAS Number | 1033600-01-9 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)CC(=O)O)CC2=CC(=C(C=C2)Cl)F |
Product Overview
2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (CAS 1033600-01-9), with molecular formula C13H14ClFN2O3 and molecular weight 300.07 g/mol. IUPAC: 2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.
Chemical Property Profile of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
Property Insights of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
The XLogP value of 1.2542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid. Following Lipinski's Rule of Five, 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid has 2 hydrogen bond donor(s) and 3 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 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The CAS number of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is 1033600-01-9.
What is the molecular formula of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The molecular formula of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is C13H14ClFN2O3.
What is the molecular weight of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The molecular weight of 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is 300.07 g/mol.
Where can I buy 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
You can request a quote for 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-[(4-Chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.