![1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone structure](/static/products/3545/354536-10-0.webp)
1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone
TL;DR: 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone (CAS 354536-10-0) is a chemical compound with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
Also Known As: BAS 01042077, 1-[4-(2-nitrobenzyl)piperazin-1-yl]-2-phenylethanone, 1-({2-nitrophenyl}methyl)-4-(phenylacetyl)piperazine, 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone, 1-[4-(2-Nitro-benzyl)-piperazin-1-yl]-2-phenyl-ethanone
| Molecular Formula | C19H21N3O3 |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.1583 |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 354536-10-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C(=O)CC3=CC=CC=C3 |
| InChIKey | XGWCRUXYAMTYFT-UHFFFAOYSA-N |
Product Overview
1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone (CAS 354536-10-0), with molecular formula C19H21N3O3 and molecular weight 339.16 g/mol. IUPAC: 1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone.
Chemical Property Profile of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone
Property Insights of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone. Following Lipinski's Rule of Five, 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone 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-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone?
The CAS number of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone is 354536-10-0.
What is the molecular formula of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone?
The molecular formula of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone is C19H21N3O3.
What is the molecular weight of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone?
The molecular weight of 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone is 339.16 g/mol.
Where can I buy 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone?
You can request a quote for 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone 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-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2-Nitrobenzyl)piperazin-1-yl]-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.