1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester (CAS 4223-93-2) is a chemical compound with molecular formula C12H25N3O2 and molecular weight 243.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-methylpiperazine-1-carboxylate
Also Known As: 2-Diethylaminoethyl 4-methylpiperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester, 4-23-00-00224 (Beilstein Handbook Reference), 4-Methyl-1-piperazinecarboxylic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 4-methylpiperazine-1-carboxylate
| Molecular Formula | C12H25N3O2 |
|---|---|
| Molecular Weight | 243.19 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.19467 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 4223-93-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)N1CCN(CC1)C |
| InChIKey | GBQWCNJINWMNPV-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester (CAS 4223-93-2), with molecular formula C12H25N3O2 and molecular weight 243.19 g/mol. IUPAC: 2-(diethylamino)ethyl 4-methylpiperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester. With a topological polar surface area (TPSA) of 36.0 Ų, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)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-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester is 4223-93-2.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester is C12H25N3O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester is 243.19 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)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-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.