1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine
TL;DR: 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine (CAS 496054-77-4) is a chemical compound with molecular formula C21H27FN2O and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Also Known As: 1-(1-adamantylcarbonyl)-4-(2-fluorophenyl)piperazine, ADAMANTANYL 4-(2-FLUOROPHENYL)PIPERAZINYL KETONE, 1-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone, Adamantan-1-yl(4-(2-fluorophenyl)piperazin-1-yl)methanone, 1-(2-fluorophenyl)-4-[(3R,5S,7s)-adamantane-1-carbonyl]piperazine
| Molecular Formula | C21H27FN2O |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | 3.6907 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21075 |
| Heavy Atoms | 25 |
| Complexity | 644.94434 |
Chemical Identifiers
| CAS Number | 496054-77-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2F)C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine (CAS 496054-77-4), with molecular formula C21H27FN2O and molecular weight 342.21 g/mol. IUPAC: 1-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine
Property Insights of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine
The XLogP value of 3.6907 indicates that 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine 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 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine?
The CAS number of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine is 496054-77-4.
What is the molecular formula of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine?
The molecular formula of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine is C21H27FN2O.
What is the molecular weight of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine?
The molecular weight of 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine is 342.21 g/mol.
Where can I buy 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine?
You can request a quote for 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantylcarbonyl)-4-(2-fluorophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.