n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester
TL;DR: n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester (CAS 438631-75-5) is a chemical compound with molecular formula C14H26N2O4 and molecular weight 286.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl piperazine-1,3-dicarboxylate
Also Known As: n-4-boc-2-piperazinecarboxylic acid tert-butyl ester, di-tert-butyl piperazine-1,3-dicarboxylate, Ditert-butyl Piperazine-1,3-dicarboxylate, tert-Butyl 4-Boc-piperazine-2-carboxylate, di-tert-butylpiperazine-1,3-dicarboxylate
| Molecular Formula | C14H26N2O4 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 1.537 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.18927 |
| Heavy Atoms | 20 |
| Complexity | 334.35065 |
Chemical Identifiers
| CAS Number | 438631-75-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1CN(CCN1)C(=O)OC(C)(C)C |
Product Overview
n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester (CAS 438631-75-5), with molecular formula C14H26N2O4 and molecular weight 286.19 g/mol. IUPAC: ditert-butyl piperazine-1,3-dicarboxylate.
Chemical Property Profile of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester
Property Insights of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester
The XLogP value of 1.537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester. Following Lipinski's Rule of Five, n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester has 1 hydrogen bond donor(s) and 5 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 n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester?
The CAS number of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester is 438631-75-5.
What is the molecular formula of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester?
The molecular formula of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester is C14H26N2O4.
What is the molecular weight of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester?
The molecular weight of n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester is 286.19 g/mol.
Where can I buy n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester?
You can request a quote for n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for n-4-Boc-2-piperazinecarboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.