(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
TL;DR: (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone (CAS 25561-50-6) is a chemical compound with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
Also Known As: 2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone, (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
| Molecular Formula | C13H16N4O3 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 1.0107 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.12225 |
| Heavy Atoms | 20 |
| Complexity | 518.9227 |
Chemical Identifiers
| CAS Number | 25561-50-6 |
|---|---|
| SMILES | CN1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone (CAS 25561-50-6), with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol. IUPAC: (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
Property Insights of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone
The XLogP value of 1.0107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 6 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 (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone?
The CAS number of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone is 25561-50-6.
What is the molecular formula of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone?
The molecular formula of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone is C13H16N4O3.
What is the molecular weight of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone?
The molecular weight of (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone is 276.12 g/mol.
Where can I buy (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone?
You can request a quote for (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-methylpiperazin-1-yl)imino-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.