Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride
TL;DR: Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride (CAS 25561-57-3) is a chemical compound with molecular formula C13H17ClN4O3 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride
Also Known As: 2-((N'-Methyl-N-piperazino)imino)-4'-nitroacetophenone hydrochloride, ACETOPHENONE, 2-((4-METHYL-1-PIPERAZINYL)IMINO)-4'-NITRO-, HYDROCHLORIDE, 2-((4-Methyl-1-piperazinyl)imino)-4'-nitroacetophenone hydrochloride, Acetophenone, 2-[(4-methyl-1-piperazinyl)imino]-4'-nitro-, monohydrochloride, RefChem:1075904
| Molecular Formula | C13H17ClN4O3 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | -3.4024 |
| Topological Polar Surface Area | 80.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0989 |
| Heavy Atoms | 21 |
| Complexity | 524.72284 |
Chemical Identifiers
| CAS Number | 25561-57-3 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-] |
Product Overview
Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride (CAS 25561-57-3), with molecular formula C13H17ClN4O3 and molecular weight 312.10 g/mol. IUPAC: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride.
Chemical Property Profile of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride
Property Insights of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride
The XLogP value of -3.4024 indicates that Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride. Following Lipinski's Rule of Five, Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride has 1 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 Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride?
The CAS number of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride is 25561-57-3.
What is the molecular formula of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride?
The molecular formula of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride is C13H17ClN4O3.
What is the molecular weight of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride?
The molecular weight of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride is 312.10 g/mol.
Where can I buy Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride?
You can request a quote for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.