![1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone structure](/static/products/331/331652-65-4.png)
1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone
TL;DR: 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone (CAS 331652-65-4) is a chemical compound with molecular formula C13H16N4O5 and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]ethanone
Also Known As: 1-[4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]ethanone, 1-acetyl-4-(2,4-dinitrophenyl)-2-methylpiperazine, 1-acetyl-4-{2,4-bisnitrophenyl}-2-methylpiperazine
| Molecular Formula | C13H16N4O5 |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 1.56 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.11206 |
| Heavy Atoms | 22 |
| Complexity | 632.8565 |
Chemical Identifiers
| CAS Number | 331652-65-4 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)C)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone (CAS 331652-65-4), with molecular formula C13H16N4O5 and molecular weight 308.11 g/mol. IUPAC: 1-[4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone
Property Insights of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone
The XLogP value of 1.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]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 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The CAS number of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone is 331652-65-4.
What is the molecular formula of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The molecular formula of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone is C13H16N4O5.
What is the molecular weight of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The molecular weight of 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone is 308.11 g/mol.
Where can I buy 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone?
You can request a quote for 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2,4-Dinitrophenyl)-2-methylpiperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.