Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate
TL;DR: Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate (CAS 509073-62-5) is a chemical compound with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate
Also Known As: tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate, tert-butyl 4-(4-nitrobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate, 3-(Pyrrol-1-yl)thiobenzamide, 7046AB, butylnitrobenzoyltetrahydropyrazinecarboxylate
| Molecular Formula | C16H21N3O5 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 2.2877 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.14813 |
| Heavy Atoms | 24 |
| Complexity | 628.1081 |
Chemical Identifiers
| CAS Number | 509073-62-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate (CAS 509073-62-5), with molecular formula C16H21N3O5 and molecular weight 335.15 g/mol. IUPAC: tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate.
Chemical Property Profile of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate
Property Insights of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate
The XLogP value of 2.2877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate has 0 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 Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate?
The CAS number of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate is 509073-62-5.
What is the molecular formula of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate?
The molecular formula of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate is C16H21N3O5.
What is the molecular weight of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate?
The molecular weight of Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate is 335.15 g/mol.
Where can I buy Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate?
You can request a quote for Tert-butyl 4-(4-nitrobenzoyl)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-(4-nitrobenzoyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-(4-nitrobenzoyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.