1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester
TL;DR: 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester (CAS 7563-86-2) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetate
Also Known As: 4-Methyl-alpha-p-tolyl-1-piperazineacetic acid ethyl ester, 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester, 5-23-02-00366 (Beilstein Handbook Reference), ethyl (4-methylphenyl)(4-methylpiperazin-1-yl)acetate, ethyl 2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetate
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 7563-86-2 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)C)N2CCN(CC2)C |
| InChIKey | ZLUCJOIWTUVBAL-UHFFFAOYSA-N |
Product Overview
1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester (CAS 7563-86-2), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: ethyl 2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetate.
Chemical Property Profile of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester
Property Insights of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester has 0 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 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester?
The CAS number of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester is 7563-86-2.
What is the molecular formula of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester?
The molecular formula of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester is C16H24N2O2.
What is the molecular weight of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester?
The molecular weight of 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester is 276.18 g/mol.
Where can I buy 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester?
You can request a quote for 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineacetic acid, 4-methyl-alpha-p-tolyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.