1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine
TL;DR: 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine (CAS 101970-40-5) is a chemical compound with molecular formula C12H14ClN3O3 and molecular weight 283.07236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
Also Known As: 1-acetyl-4-(2-chloro-4-nitrophenyl)piperazine, 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone, Piperazine, 1-acetyl-4-(2-chloro-4-nitrophenyl)-, 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethan-1-one, BAS 01844985
Technical Specifications
| Molecular Formula | C12H14ClN3O3 |
| Molecular Weight | 283.07236 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.07236 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | OFCJTLZYBAMNSC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine
Property Insights of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine. Following Lipinski's Rule of Five, 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine 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
What is the CAS number of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine?
The CAS number of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine is 101970-40-5.
What is the molecular formula of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine?
The molecular formula of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine is C12H14ClN3O3.
What is the molecular weight of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine?
The molecular weight of 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine is 283.07236 g/mol.
Where can I buy 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine?
You can request a quote for 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-4-(2-chloro-4-nitrophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.