1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester
TL;DR: 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester (CAS 7550-17-6) is a chemical compound with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetate
Also Known As: 5-23-02-00365 (Beilstein Handbook Reference), alpha-(p-Chlorophenyl)-4-methyl-1-piperazineacetic acid ethyl ester, 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester, Ethyl (4-chlorophenyl)(4-methylpiperazin-1-yl)acetate, ethyl 2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetate
| Molecular Formula | C15H21ClN2O2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.12915 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 7550-17-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C |
| InChIKey | JDHONSZPFKVQRI-UHFFFAOYSA-N |
Product Overview
1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester (CAS 7550-17-6), with molecular formula C15H21ClN2O2 and molecular weight 296.13 g/mol. IUPAC: ethyl 2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetate.
Chemical Property Profile of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester
Property Insights of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, 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, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester?
The CAS number of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester is 7550-17-6.
What is the molecular formula of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester?
The molecular formula of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester is C15H21ClN2O2.
What is the molecular weight of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester?
The molecular weight of 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester is 296.13 g/mol.
Where can I buy 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester?
You can request a quote for 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, 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, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazineacetic acid, alpha-(p-chlorophenyl)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.