1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester (CAS 4218-89-7) is a chemical compound with molecular formula C13H27N3O2 and molecular weight 257.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate
Also Known As: 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester, [2-(diethylamino)-1-methyl-ethyl] 4-methylpiperazine-1-carboxylate
| Molecular Formula | C13H27N3O2 |
|---|---|
| Molecular Weight | 257.21 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.21033 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 4218-89-7 |
|---|---|
| SMILES | CCN(CC)CC(C)OC(=O)N1CCN(CC1)C |
| InChIKey | MVWFAJUGJWUACP-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester (CAS 4218-89-7), with molecular formula C13H27N3O2 and molecular weight 257.21 g/mol. IUPAC: 1-(diethylamino)propan-2-yl 4-methylpiperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester. With a topological polar surface area (TPSA) of 36.0 Ų, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl 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)-1-methylethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester is 4218-89-7.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester is C13H27N3O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester is 257.21 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl 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)-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-methyl-, 2-(diethylamino)-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.