Benzyl 3-oxopiperazine-1-carboxylate
TL;DR: Benzyl 3-oxopiperazine-1-carboxylate (CAS 80080-95-1) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-oxopiperazine-1-carboxylate
Also Known As: benzyl 3-oxopiperazine-1-carboxylate, 4-Benzyloxycarbonyl-2-piperazinone, 1-Cbz-3-oxopiperazine, 1-Z-3-oxopiperazine, 4-Benzyloxycarbonylpiperazin-2-one
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 80080-95-1 |
|---|---|
| SMILES | C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | BAHFPJFBMJTOPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-oxopiperazine-1-carboxylate (CAS 80080-95-1), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: benzyl 3-oxopiperazine-1-carboxylate.
Chemical Property Profile of Benzyl 3-oxopiperazine-1-carboxylate
Property Insights of Benzyl 3-oxopiperazine-1-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-oxopiperazine-1-carboxylate. With a topological polar surface area (TPSA) of 58.6 Ų, Benzyl 3-oxopiperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 3-oxopiperazine-1-carboxylate?
The CAS number of Benzyl 3-oxopiperazine-1-carboxylate is 80080-95-1.
What is the molecular formula of Benzyl 3-oxopiperazine-1-carboxylate?
The molecular formula of Benzyl 3-oxopiperazine-1-carboxylate is C12H14N2O3.
What is the molecular weight of Benzyl 3-oxopiperazine-1-carboxylate?
The molecular weight of Benzyl 3-oxopiperazine-1-carboxylate is 234.10 g/mol.
Where can I buy Benzyl 3-oxopiperazine-1-carboxylate?
You can request a quote for Benzyl 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 Benzyl 3-oxopiperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-oxopiperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.