Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
TL;DR: Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone (CAS 496054-76-3) is a chemical compound with molecular formula C22H29ClN2O and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
Also Known As: BAS 05675745, ADAMANTANYL 4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL KETONE, 1-(5-chloro-2-methylphenyl)-4-[(3R,5S,7s)-adamantane-1-carbonyl]piperazine, 1-(1-adamantylcarbonyl)-4-(5-chloro-2-methylphenyl)piperazine, AO-990/37423025
| Molecular Formula | C22H29ClN2O |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 4.51342 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.19684 |
| Heavy Atoms | 26 |
| Complexity | 687.56824 |
Chemical Identifiers
| CAS Number | 496054-76-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone (CAS 496054-76-3), with molecular formula C22H29ClN2O and molecular weight 372.20 g/mol. IUPAC: 1-adamantyl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
Property Insights of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone
The XLogP value of 4.51342 indicates that Adamantanyl 4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantanyl 4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazinyl ketone?
The CAS number of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is 496054-76-3.
What is the molecular formula of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
The molecular formula of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is C22H29ClN2O.
What is the molecular weight of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
The molecular weight of Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone is 372.20 g/mol.
Where can I buy Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone?
You can request a quote for Adamantanyl 4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Adamantanyl 4-(5-chloro-2-methylphenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.