![2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid structure](/static/products/1022/1022918-77-9.webp)
2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid
TL;DR: 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid (CAS 1022918-77-9) is a chemical compound with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
Also Known As: 2-(1-(2-methylbenzyl)-3-oxopiperazin-2-yl)acetic acid, [1-(2-methylbenzyl)-3-oxo-2-piperazinyl]acetic acid, 2-[1-(2-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID, 7619AC, BAS 11770674
| Molecular Formula | C14H18N2O3 |
|---|---|
| Molecular Weight | 262.13 g/mol |
| LogP | 0.77012 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.13174 |
| Heavy Atoms | 19 |
| Complexity | 487.33435 |
Chemical Identifiers
| CAS Number | 1022918-77-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCNC(=O)C2CC(=O)O |
Product Overview
2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid (CAS 1022918-77-9), with molecular formula C14H18N2O3 and molecular weight 262.13 g/mol. IUPAC: 2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.
Chemical Property Profile of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid
Property Insights of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid
The XLogP value of 0.77012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid. Following Lipinski's Rule of Five, 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-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-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid?
The CAS number of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid is 1022918-77-9.
What is the molecular formula of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid?
The molecular formula of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid is C14H18N2O3.
What is the molecular weight of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid?
The molecular weight of 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid is 262.13 g/mol.
Where can I buy 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid?
You can request a quote for 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-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-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2-Methylbenzyl)-3-oxo-2-piperazinyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.