Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate (CAS 64822-11-3) is a chemical compound with molecular formula C9H17ClN2O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
Also Known As: heptacosane,7-methyl, ethyl 4-(2-chloroethyl)piperazine-1-carboxylate, 1-(2-chloroethyl)-4-(ethoxycarbonyl)piperazine, ethoxycarbonyl-4-(2-chloroethyl)-piperazine, 1-(2-Chloroethyl)-4-ethoxycarbonylpiperazine
| Molecular Formula | C9H17ClN2O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.09785 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 64822-11-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CCCl |
| InChIKey | QXFLHYYXOQKRBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate (CAS 64822-11-3), with molecular formula C9H17ClN2O2 and molecular weight 220.10 g/mol. IUPAC: ethyl 4-(2-chloroethyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 32.8 Ų, Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate has 0 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 Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate is 64822-11-3.
What is the molecular formula of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate is C9H17ClN2O2.
What is the molecular weight of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate is 220.10 g/mol.
Where can I buy Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-chloroethyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.