![1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone structure](/static/products/1001/100138-76-9.webp)
1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
TL;DR: 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone (CAS 100138-76-9) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
Also Known As: 1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone, 1-(4-(2-nitrophenyl)piperazin-1-yl)ethanone, 1-acetyl-4-{2-nitrophenyl}piperazine, 1-acetyl-4-(2-nitro-phenyl)-piperazine, 1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 1.2633 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 467.39038 |
Chemical Identifiers
| CAS Number | 100138-76-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone (CAS 100138-76-9), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
Property Insights of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone
The XLogP value of 1.2633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone 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-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The CAS number of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is 100138-76-9.
What is the molecular formula of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The molecular formula of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is C12H15N3O3.
What is the molecular weight of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
The molecular weight of 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone is 249.11 g/mol.
Where can I buy 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
You can request a quote for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2-Nitrophenyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.