Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate (CAS 77278-39-8) is a chemical compound with molecular formula C12H23N3O3 and molecular weight 257.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate
Also Known As: tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate, tert-Butyl 4-(3-amino-3-oxopropyl)-1-piperazinecarboxylate, tert-Butyl 4-(3-amino-3-oxopropyl)-1-piperazinecarboxylate #, 1-(3-amino-3-oxopropyl)-4-(1,1-dimethylethoxycarbonyl)piperazine, Piperazine-1-carboxylic acid, 4-(3-amino-3-oxopropyl)-, tert-butyl ester
| Molecular Formula | C12H23N3O3 |
|---|---|
| Molecular Weight | 257.17 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.17395 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 77278-39-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)N |
| InChIKey | LUHHTDIIQGBZCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate (CAS 77278-39-8), with molecular formula C12H23N3O3 and molecular weight 257.17 g/mol. IUPAC: tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate
The XLogP value of -0.2 indicates that Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate has 1 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 Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate is 77278-39-8.
What is the molecular formula of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate is C12H23N3O3.
What is the molecular weight of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate is 257.17 g/mol.
Where can I buy Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(3-amino-3-oxopropyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.