1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester
TL;DR: 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester (CAS 6946-83-4) is a chemical compound with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-dimethylpiperazine-1,4-dicarboxylate
Also Known As: diethyl 2,5-dimethylpiperazine-1,4-dicarboxylate, 1,4-piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester, diethyl 2,5-dimethyl-1,4-piperazinedicarboxylate, ethyl 4-(ethoxycarbonyl)-2,5-dimethylpiperazinecarboxylate, RefChem:221074
| Molecular Formula | C12H22N2O4 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.15796 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6946-83-4 |
|---|---|
| SMILES | CCOC(=O)N1CC(N(CC1C)C(=O)OCC)C |
| InChIKey | SWGPJPNOQKWDKT-UHFFFAOYSA-N |
Product Overview
1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester (CAS 6946-83-4), with molecular formula C12H22N2O4 and molecular weight 258.16 g/mol. IUPAC: diethyl 2,5-dimethylpiperazine-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester
Property Insights of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester. With a topological polar surface area (TPSA) of 59.1 Ų, 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl 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 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The CAS number of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester is 6946-83-4.
What is the molecular formula of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The molecular formula of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester is C12H22N2O4.
What is the molecular weight of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester?
The molecular weight of 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester is 258.16 g/mol.
Where can I buy 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester?
You can request a quote for 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Piperazinedicarboxylic acid, 2,5-dimethyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.