![1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone structure](/static/products/7142/714279-14-8.webp)
1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
TL;DR: 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 714279-14-8) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
Also Known As: 1-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone, 1-{4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}ethanone, 1-acetyl-4-[3-(methylamino)-4-nitrophenyl]piperazine
| Molecular Formula | C13H18N4O3 |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | 1.305 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.13788 |
| Heavy Atoms | 20 |
| Complexity | 524.3476 |
Chemical Identifiers
| CAS Number | 714279-14-8 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC |
Product Overview
1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone (CAS 714279-14-8), with molecular formula C13H18N4O3 and molecular weight 278.14 g/mol. IUPAC: 1-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
Property Insights of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone
The XLogP value of 1.305 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone 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
Frequently Asked Questions
What is the CAS number of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The CAS number of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is 714279-14-8.
What is the molecular formula of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular formula of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is C13H18N4O3.
What is the molecular weight of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
The molecular weight of 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone is 278.14 g/mol.
Where can I buy 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
You can request a quote for 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-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-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[3-(Methylamino)-4-nitrophenyl]piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.