(4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone
TL;DR: (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone (CAS 591765-34-3) is a chemical compound with molecular formula C31H40N4O3 and molecular weight 516.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-ethylphenyl)methanone
Also Known As: (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone, (4-ethylphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone, [4-[3-[1-(1-adamantyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]-(4-ethylphenyl)methanone, [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-ethylphenyl)methanone
| Molecular Formula | C31H40N4O3 |
|---|---|
| Molecular Weight | 516.31 g/mol |
| LogP | 6.1364 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.31006 |
| Heavy Atoms | 38 |
| Complexity | 1166.8212 |
Chemical Identifiers
| CAS Number | 591765-34-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5 |
Product Overview
(4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone (CAS 591765-34-3), with molecular formula C31H40N4O3 and molecular weight 516.31 g/mol. IUPAC: [4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-(4-ethylphenyl)methanone.
Chemical Property Profile of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone
Property Insights of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone
The XLogP value of 6.1364 indicates that (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone 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 (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone. Following Lipinski's Rule of Five, (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone?
The CAS number of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone is 591765-34-3.
What is the molecular formula of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone?
The molecular formula of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone is C31H40N4O3.
What is the molecular weight of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone?
The molecular weight of (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone is 516.31 g/mol.
Where can I buy (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone?
You can request a quote for (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-(3-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)amino)-4-nitrophenyl)piperazin-1-yl)(4-ethylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.