Adamantanyl 4-benzylpiperazinyl ketone
TL;DR: Adamantanyl 4-benzylpiperazinyl ketone (CAS 31879-79-5) is a chemical compound with molecular formula C22H30N2O and molecular weight 338.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-(4-benzylpiperazin-1-yl)methanone
Also Known As: ADAMANTANYL 4-BENZYLPIPERAZINYL KETONE, 1-adamantyl-(4-benzylpiperazin-1-yl)methanone, 1-(adamantane-1-carbonyl)-4-benzylpiperazine, 1-(1-adamantylcarbonyl)-4-benzylpiperazine, Adamantan-1-yl(4-benzylpiperazin-1-yl)methanone
| Molecular Formula | C22H30N2O |
|---|---|
| Molecular Weight | 338.24 g/mol |
| LogP | 3.5472 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.2358 |
| Heavy Atoms | 25 |
| Complexity | 597.4029 |
Chemical Identifiers
| CAS Number | 31879-79-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
Adamantanyl 4-benzylpiperazinyl ketone (CAS 31879-79-5), with molecular formula C22H30N2O and molecular weight 338.24 g/mol. IUPAC: 1-adamantyl-(4-benzylpiperazin-1-yl)methanone.
Chemical Property Profile of Adamantanyl 4-benzylpiperazinyl ketone
Property Insights of Adamantanyl 4-benzylpiperazinyl ketone
The XLogP value of 3.5472 indicates that Adamantanyl 4-benzylpiperazinyl 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-benzylpiperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantanyl 4-benzylpiperazinyl 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-benzylpiperazinyl ketone?
The CAS number of Adamantanyl 4-benzylpiperazinyl ketone is 31879-79-5.
What is the molecular formula of Adamantanyl 4-benzylpiperazinyl ketone?
The molecular formula of Adamantanyl 4-benzylpiperazinyl ketone is C22H30N2O.
What is the molecular weight of Adamantanyl 4-benzylpiperazinyl ketone?
The molecular weight of Adamantanyl 4-benzylpiperazinyl ketone is 338.24 g/mol.
Where can I buy Adamantanyl 4-benzylpiperazinyl ketone?
You can request a quote for Adamantanyl 4-benzylpiperazinyl 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-benzylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Adamantanyl 4-benzylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.