1-(4-Nitrobenzoyl)piperazine
TL;DR: 1-(4-Nitrobenzoyl)piperazine (CAS 72141-41-4) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-piperazin-1-ylmethanone
Also Known As: 1-(4-Nitrobenzoyl)piperazine, (4-Nitrophenyl)(piperazin-1-yl)methanone, (4-nitrophenyl)(piperazino)methanone, (4-Nitro-phenyl)-piperazin-1-yl-methanone, 1-(4-nitrobenzoyl)-piperazine
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 72141-41-4 |
|---|---|
| SMILES | C1CN(CCN1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HIQSQKKHPVVUEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitrobenzoyl)piperazine (CAS 72141-41-4), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: (4-nitrophenyl)-piperazin-1-ylmethanone.
Chemical Property Profile of 1-(4-Nitrobenzoyl)piperazine
Property Insights of 1-(4-Nitrobenzoyl)piperazine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzoyl)piperazine. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Nitrobenzoyl)piperazine 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 1-(4-Nitrobenzoyl)piperazine?
The CAS number of 1-(4-Nitrobenzoyl)piperazine is 72141-41-4.
What is the molecular formula of 1-(4-Nitrobenzoyl)piperazine?
The molecular formula of 1-(4-Nitrobenzoyl)piperazine is C11H13N3O3.
What is the molecular weight of 1-(4-Nitrobenzoyl)piperazine?
The molecular weight of 1-(4-Nitrobenzoyl)piperazine is 235.10 g/mol.
Where can I buy 1-(4-Nitrobenzoyl)piperazine?
You can request a quote for 1-(4-Nitrobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.