1,4-哌嗪二羧酸二乙酯
TL;DR: 1,4-哌嗪二羧酸二乙酯 (CAS 5470-28-0) is a chemical compound with molecular formula C10H18N2O4 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-哌嗪二羧酸二乙酯
diethyl piperazine-1,4-dicarboxylate
Also Known As: Diethyl piperazine-1,4-dicarboxylate, 1, diethyl ester, 1,4-Dicarbethoxy piperazine, Diethyl 1,4-piperazinedicarboxylate, 1,4-Piperazinedicarboxylic acid, diethyl ester
| Molecular Formula | C10H18N2O4 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.12666 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5470-28-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)OCC |
| InChIKey | NAEAAGULDNVNCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-哌嗪二羧酸二乙酯 (CAS 5470-28-0), with molecular formula C10H18N2O4 and molecular weight 230.13 g/mol. IUPAC: diethyl piperazine-1,4-dicarboxylate.
Chemical Property Profile of 1,4-哌嗪二羧酸二乙酯
Property Insights of 1,4-哌嗪二羧酸二乙酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-哌嗪二羧酸二乙酯. With a topological polar surface area (TPSA) of 59.1 Ų, 1,4-哌嗪二羧酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-哌嗪二羧酸二乙酯 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 1,4-哌嗪二羧酸二乙酯?
The CAS number of 1,4-哌嗪二羧酸二乙酯 is 5470-28-0.
What is the molecular formula of 1,4-哌嗪二羧酸二乙酯?
The molecular formula of 1,4-哌嗪二羧酸二乙酯 is C10H18N2O4.
What is the molecular weight of 1,4-哌嗪二羧酸二乙酯?
The molecular weight of 1,4-哌嗪二羧酸二乙酯 is 230.13 g/mol.
Where can I buy 1,4-哌嗪二羧酸二乙酯?
You can request a quote for 1,4-哌嗪二羧酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-哌嗪二羧酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-哌嗪二羧酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.