1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester (CAS 28329-34-2) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butylphenyl) 4-methylpiperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester, 4-Methyl-1-piperazinecarboxylic acid 3-tert-butylphenyl ester, 3-TERT-BUTYLPHENYL 4-METHYLPIPERAZINE-1-CARBOXYLATE, (3-tert-butylphenyl) 4-methylpiperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-methyl-, 3-(1,1-dimethylethyl)phenyl ester
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 28329-34-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)OC(=O)N2CCN(CC2)C |
| InChIKey | DGFUKZKJELRMIX-UHFFFAOYSA-N |
Product Overview
1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester (CAS 28329-34-2), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: (3-tert-butylphenyl) 4-methylpiperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester
The XLogP value of 3.2 indicates that 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester 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 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester is 28329-34-2.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester is C16H24N2O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester is 276.18 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl 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-, 3-tert-butylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-methyl-, 3-tert-butylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.