1-Ethyl-4-(4-nitrobenzoyl)piperazine
TL;DR: 1-Ethyl-4-(4-nitrobenzoyl)piperazine (CAS 546096-63-3) is a chemical compound with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylpiperazin-1-yl)-(4-nitrophenyl)methanone
Also Known As: 1-ethyl-4-(4-nitrobenzoyl)piperazine, (4-ethylpiperazin-1-yl)-(4-nitrophenyl)methanone, (4-Ethyl-1-piperazinyl)(4-nitrophenyl)methanone
| Molecular Formula | C13H17N3O3 |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 1.3725 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.12698 |
| Heavy Atoms | 19 |
| Complexity | 464.5267 |
Chemical Identifiers
| CAS Number | 546096-63-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Ethyl-4-(4-nitrobenzoyl)piperazine (CAS 546096-63-3), with molecular formula C13H17N3O3 and molecular weight 263.13 g/mol. IUPAC: (4-ethylpiperazin-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of 1-Ethyl-4-(4-nitrobenzoyl)piperazine
Property Insights of 1-Ethyl-4-(4-nitrobenzoyl)piperazine
The XLogP value of 1.3725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-(4-nitrobenzoyl)piperazine. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-4-(4-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-Ethyl-4-(4-nitrobenzoyl)piperazine has 0 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-Ethyl-4-(4-nitrobenzoyl)piperazine?
The CAS number of 1-Ethyl-4-(4-nitrobenzoyl)piperazine is 546096-63-3.
What is the molecular formula of 1-Ethyl-4-(4-nitrobenzoyl)piperazine?
The molecular formula of 1-Ethyl-4-(4-nitrobenzoyl)piperazine is C13H17N3O3.
What is the molecular weight of 1-Ethyl-4-(4-nitrobenzoyl)piperazine?
The molecular weight of 1-Ethyl-4-(4-nitrobenzoyl)piperazine is 263.13 g/mol.
Where can I buy 1-Ethyl-4-(4-nitrobenzoyl)piperazine?
You can request a quote for 1-Ethyl-4-(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-Ethyl-4-(4-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-(4-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.