2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone
TL;DR: 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone (CAS 457940-99-7) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylethanone
Also Known As: 2-(4-(4-nitrophenyl)piperazin-1-yl)-1-phenylethanone, 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylethanone, 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylethan-1-one, 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenyl-ethanone, 2-[4-(4-nitrophenyl)piperazinyl]-1-phenylethan-1-one
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.5997 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 708.04865 |
Chemical Identifiers
| CAS Number | 457940-99-7 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone (CAS 457940-99-7), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: 2-[4-(4-nitrophenyl)piperazin-1-yl]-1-phenylethanone.
Chemical Property Profile of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone
Property Insights of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone
The XLogP value of 2.5997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone. Following Lipinski's Rule of Five, 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone 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 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone?
The CAS number of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone is 457940-99-7.
What is the molecular formula of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone?
The molecular formula of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone is C18H19N3O3.
What is the molecular weight of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone?
The molecular weight of 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone is 325.14 g/mol.
Where can I buy 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone?
You can request a quote for 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(4-Nitrophenyl)piperazin-1-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.