3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone
TL;DR: 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone (CAS 289061-09-2) is a chemical compound with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
Also Known As: 3,5-dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone, (3,5-dinitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone, 1-(3,5-DINITROBENZOYL)-4-(2-METHYLPHENYL)PIPERAZINE, F1732-0076, (3,5-dinitrophenyl)(4-(o-tolyl)piperazin-1-yl)methanone
| Molecular Formula | C18H18N4O5 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 2.77382 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.12772 |
| Heavy Atoms | 27 |
| Complexity | 874.12506 |
Chemical Identifiers
| CAS Number | 289061-09-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone (CAS 289061-09-2), with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol. IUPAC: (3,5-dinitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone
Property Insights of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone
The XLogP value of 2.77382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone. Following Lipinski's Rule of Five, 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone 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 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone?
The CAS number of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone is 289061-09-2.
What is the molecular formula of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone?
The molecular formula of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone is C18H18N4O5.
What is the molecular weight of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone?
The molecular weight of 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone is 370.13 g/mol.
Where can I buy 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone?
You can request a quote for 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitrophenyl 4-(2-methylphenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.