Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone
TL;DR: Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone (CAS 551901-86-1) is a chemical compound with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[4-(3-chlorophenyl)piperazin-1-yl]methanone
Also Known As: adamantanyl 4-(3-chlorophenyl)piperazinyl ketone, BAS 08749191, 1-(1-adamantylcarbonyl)-4-(3-chlorophenyl)piperazine, 1-adamantyl-[4-(3-chlorophenyl)piperazin-1-yl]methanone, Adamantan-1-yl-[4-(3-chloro-phenyl)-piperazin-1-yl]-methanone
| Molecular Formula | C21H27ClN2O |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 4.205 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.18118 |
| Heavy Atoms | 25 |
| Complexity | 644.94434 |
Chemical Identifiers
| CAS Number | 551901-86-1 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone (CAS 551901-86-1), with molecular formula C21H27ClN2O and molecular weight 358.18 g/mol. IUPAC: 1-adamantyl-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone
Property Insights of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone
The XLogP value of 4.205 indicates that Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone has 0 hydrogen bond donor(s) and 2 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 Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone?
The CAS number of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone is 551901-86-1.
What is the molecular formula of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular formula of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone is C21H27ClN2O.
What is the molecular weight of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular weight of Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone is 358.18 g/mol.
Where can I buy Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone?
You can request a quote for Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Adamantanyl 4-(3-chlorophenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.