3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one
TL;DR: 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one (CAS 4177-35-9) is a chemical compound with molecular formula C20H28N2O and molecular weight 312.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
Also Known As: 5-23-02-00196 (Beilstein Handbook Reference), 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one, Bicyclo(3.3.1)nonan-9-one, 3-methyl-2-(4-phenyl-1-piperazinyl)-, 3-Methyl-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one, 3-methyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
| Molecular Formula | C20H28N2O |
|---|---|
| Molecular Weight | 312.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.22015 |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 4177-35-9 |
|---|---|
| SMILES | CC1CC2CCCC(C1N3CCN(CC3)C4=CC=CC=C4)C2=O |
| InChIKey | AJHUZFACEZTFQV-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one (CAS 4177-35-9), with molecular formula C20H28N2O and molecular weight 312.22 g/mol. IUPAC: 3-methyl-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one
Property Insights of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one
The XLogP value of 3.6 indicates that 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one has 0 hydrogen bond donor(s) and 3 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 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one?
The CAS number of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one is 4177-35-9.
What is the molecular formula of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one?
The molecular formula of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one is C20H28N2O.
What is the molecular weight of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one?
The molecular weight of 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one is 312.22 g/mol.
Where can I buy 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one?
You can request a quote for 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.