Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride
TL;DR: Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride (CAS 25561-58-4) is a chemical compound with molecular formula C19H22ClN3OS and molecular weight 375.12 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-phenylsulfanylphenyl)ethanone chloride
Also Known As: 2-((4-Methyl-1-piperazinyl)imino)-4'-phenylthioacetophenone hydrochloride, ACETOPHENONE, 2-((4-METHYL-1-PIPERAZINYL)IMINO)-4'-PHENYLTHIO-, HYDROCHLORIDE, 2-((N'-Methyl-N-piperazino)imino)-4'-phenylthioacetophenone hydrochloride, Acetophenone, 2-[(4-methyl-1-piperazinyl)imino]-4'-(phenylthio)-, monohydrochloride, RefChem:1075907
| Molecular Formula | C19H22ClN3OS |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | -1.1594 |
| Topological Polar Surface Area | 37.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.11722 |
| Heavy Atoms | 25 |
| Complexity | 698.36896 |
Chemical Identifiers
| CAS Number | 25561-58-4 |
|---|---|
| SMILES | C[NH+]1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3.[Cl-] |
Product Overview
Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride (CAS 25561-58-4), with molecular formula C19H22ClN3OS and molecular weight 375.12 g/mol. IUPAC: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone chloride.
Chemical Property Profile of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride
Property Insights of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride
The XLogP value of -1.1594 indicates that Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.11 Ų, Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride has 1 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 Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride?
The CAS number of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride is 25561-58-4.
What is the molecular formula of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride?
The molecular formula of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride is C19H22ClN3OS.
What is the molecular weight of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride?
The molecular weight of Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride is 375.12 g/mol.
Where can I buy Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride?
You can request a quote for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, 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'-phenylthio-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-phenylthio-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.