![1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one structure](/static/products/4337/433701-36-1.webp)
1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one
TL;DR: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one (CAS 433701-36-1) is a chemical compound with molecular formula C27H40N4O3 and molecular weight 468.31 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]-3-methylbutan-1-one
Also Known As: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one, 3-methyl-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]butan-1-one, 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one, 1-[4-(3-{[1-(ADAMANTAN-1-YL)ETHYL]AMINO}-4-NITROPHENYL)PIPERAZIN-1-YL]-3-METHYLBUTAN-1-ONE
| Molecular Formula | C27H40N4O3 |
|---|---|
| Molecular Weight | 468.31 g/mol |
| LogP | 5.3063 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.31003 |
| Heavy Atoms | 34 |
| Complexity | 902.51874 |
Chemical Identifiers
| CAS Number | 433701-36-1 |
|---|---|
| SMILES | CC(C)CC(=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]-3-methylbutan-1-one (CAS 433701-36-1), with molecular formula C27H40N4O3 and molecular weight 468.31 g/mol. IUPAC: 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one.
Chemical Property Profile of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one
Property Insights of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one
The XLogP value of 5.3063 indicates that 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-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]-3-methylbutan-1-one. Following Lipinski's Rule of Five, 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one 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 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one?
The CAS number of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one is 433701-36-1.
What is the molecular formula of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one?
The molecular formula of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one is C27H40N4O3.
What is the molecular weight of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one?
The molecular weight of 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one is 468.31 g/mol.
Where can I buy 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one?
You can request a quote for 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-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]-3-methylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[3-[1-(1-adamantyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.