![1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone structure](/static/products/3299/329922-76-1.webp)
1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone
TL;DR: 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone (CAS 329922-76-1) is a chemical compound with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone
Also Known As: BAS 00434955, BIM-0020806.P001, 1-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone, 1-acetyl-4-(4-chloro-2-nitrophenyl)-2-methylpiperazine, 1-acetyl-4-{4-chloro-2-nitrophenyl}-2-methylpiperazine
| Molecular Formula | C13H16ClN3O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 2.3052 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.088 |
| Heavy Atoms | 20 |
| Complexity | 549.66296 |
Chemical Identifiers
| CAS Number | 329922-76-1 |
|---|---|
| SMILES | CC1CN(CCN1C(=O)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone (CAS 329922-76-1), with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol. IUPAC: 1-[4-(4-chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone
Property Insights of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone
The XLogP value of 2.3052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone has 0 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 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The CAS number of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone is 329922-76-1.
What is the molecular formula of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The molecular formula of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone is C13H16ClN3O3.
What is the molecular weight of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone?
The molecular weight of 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone is 297.09 g/mol.
Where can I buy 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone?
You can request a quote for 1-[4-(4-Chloro-2-nitrophenyl)-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-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-Chloro-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.