![4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone structure](/static/products/3473/347355-27-5.webp)
4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone
TL;DR: 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone (CAS 347355-27-5) is a chemical compound with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
Also Known As: A2480/0105375, (4-(4-nitro-3-(phenethylamino)phenyl)piperazin-1-yl)(p-tolyl)methanone, (4-methylphenyl)(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)methanone, (4-methylphenyl)-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone, (4-methylphenyl)-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]methanone
| Molecular Formula | C26H28N4O3 |
|---|---|
| Molecular Weight | 444.22 g/mol |
| LogP | 4.52022 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.21616 |
| Heavy Atoms | 33 |
| Complexity | 1108.1407 |
Chemical Identifiers
| CAS Number | 347355-27-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4 |
Product Overview
4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone (CAS 347355-27-5), with molecular formula C26H28N4O3 and molecular weight 444.22 g/mol. IUPAC: (4-methylphenyl)-[4-[4-nitro-3-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone
Property Insights of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone
The XLogP value of 4.52022 indicates that 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone. Following Lipinski's Rule of Five, 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone 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 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone?
The CAS number of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone is 347355-27-5.
What is the molecular formula of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone?
The molecular formula of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone is C26H28N4O3.
What is the molecular weight of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone?
The molecular weight of 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone is 444.22 g/mol.
Where can I buy 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone?
You can request a quote for 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.