![1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one structure](/static/products/5932/593237-80-0.webp)
1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one
TL;DR: 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one (CAS 593237-80-0) is a chemical compound with molecular formula C25H36N4O3 and molecular weight 440.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one
Also Known As: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one, 1-(4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)propan-1-one, 1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]propan-1-one, 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one
| Molecular Formula | C25H36N4O3 |
|---|---|
| Molecular Weight | 440.28 g/mol |
| LogP | 4.6702 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.27875 |
| Heavy Atoms | 32 |
| Complexity | 857.88904 |
Chemical Identifiers
| CAS Number | 593237-80-0 |
|---|---|
| SMILES | CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C)C34CC5CC(C3)CC(C5)C4 |
Product Overview
1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one (CAS 593237-80-0), with molecular formula C25H36N4O3 and molecular weight 440.28 g/mol. IUPAC: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one
Property Insights of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one
The XLogP value of 4.6702 indicates that 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one. Following Lipinski's Rule of Five, 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one 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-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The CAS number of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one is 593237-80-0.
What is the molecular formula of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The molecular formula of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one is C25H36N4O3.
What is the molecular weight of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
The molecular weight of 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one is 440.28 g/mol.
Where can I buy 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
You can request a quote for 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one 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-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[3-[1-(1-Adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.