1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine
TL;DR: 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine (CAS 111861-03-1) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(3-amino-4-nitrophenyl)piperazin-1-yl]ethanone
Also Known As: 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine, BAS 00727987, 1-[4-(3-amino-4-nitrophenyl)piperazin-1-yl]ethanone, BIM-0009087.P001, 1-acetyl-4-{3-amino-4-nitrophenyl}piperazine
Technical Specifications
| Molecular Formula | C12H16N4O3 |
| Molecular Weight | 264.12225 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.12225 Da |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N |
| InChIKey | KYSIZBKIGWHFKZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine
Property Insights of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine. Following Lipinski's Rule of Five, 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine 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
What is the CAS number of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine?
The CAS number of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine is 111861-03-1.
What is the molecular formula of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine?
The molecular formula of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine is C12H16N4O3.
What is the molecular weight of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine?
The molecular weight of 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine is 264.12225 g/mol.
Where can I buy 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine?
You can request a quote for 1-Acetyl-4-(3-amino-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-(3-amino-4-nitrophenyl)piperazine?
Yes, CoreyChem provides custom synthesis services for 1-Acetyl-4-(3-amino-4-nitrophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.