Tert-butyl 3-oxopiperazine-1-carboxylate
TL;DR: Tert-butyl 3-oxopiperazine-1-carboxylate (CAS 328035-07-0) is a chemical compound with molecular formula C9H16N2O3 and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-oxopiperazine-1-carboxylate
Also Known As: 1-Boc-3-oxopiperazine, tert-butyl 3-oxopiperazine-1-carboxylate, 4-N-Boc-2-oxo-piperazine, 4-Boc-2-oxopiperazine, 4-boc-piperazinone
| Molecular Formula | C9H16N2O3 |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 0.3533 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.11609 |
| Heavy Atoms | 14 |
| Complexity | 244.93185 |
Chemical Identifiers
| CAS Number | 328035-07-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCNC(=O)C1 |
Product Overview
Tert-butyl 3-oxopiperazine-1-carboxylate (CAS 328035-07-0), with molecular formula C9H16N2O3 and molecular weight 200.12 g/mol. IUPAC: tert-butyl 3-oxopiperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 3-oxopiperazine-1-carboxylate
Property Insights of Tert-butyl 3-oxopiperazine-1-carboxylate
The XLogP value of 0.3533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-oxopiperazine-1-carboxylate. With a topological polar surface area (TPSA) of 58.64 Ų, Tert-butyl 3-oxopiperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-oxopiperazine-1-carboxylate has 1 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 Tert-butyl 3-oxopiperazine-1-carboxylate?
The CAS number of Tert-butyl 3-oxopiperazine-1-carboxylate is 328035-07-0.
What is the molecular formula of Tert-butyl 3-oxopiperazine-1-carboxylate?
The molecular formula of Tert-butyl 3-oxopiperazine-1-carboxylate is C9H16N2O3.
What is the molecular weight of Tert-butyl 3-oxopiperazine-1-carboxylate?
The molecular weight of Tert-butyl 3-oxopiperazine-1-carboxylate is 200.12 g/mol.
Where can I buy Tert-butyl 3-oxopiperazine-1-carboxylate?
You can request a quote for Tert-butyl 3-oxopiperazine-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 3-oxopiperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-oxopiperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.