psi-Pelletierine
TL;DR: psi-Pelletierine (CAS 552-70-5) is a chemical compound with molecular formula C9H15NO and molecular weight 153.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Also Known As: Pseudopelletierine, 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one, Pseudopunicine, Granatonine, Pseudopelletierin
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.11537 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 Da |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| Melting Point | 62 - 64 °C |
| Boiling Point | 246.00 °C. @ 760.00 mm Hg |
| Solubility | 400 mg/mL |
| SMILES | CN1C2CCCC1CC(=O)C2 |
| InChIKey | RHWSKVCZXBAWLZ-UHFFFAOYSA-N |
Product Description
Applications: psi-Pelletierine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, psi-Pelletierine (CAS 552-70-5) has the molecular formula C9H15NO and a molecular weight of 153.12 g/mol. Reported properties include a solubility: 400 mg/mL. Synonyms include Pseudopelletierine and 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of psi-Pelletierine
Property Insights of psi-Pelletierine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for psi-Pelletierine. With a topological polar surface area (TPSA) of 20.3 Ų, psi-Pelletierine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, psi-Pelletierine 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
What is the CAS number of psi-Pelletierine?
The CAS number of psi-Pelletierine is 552-70-5.
What is the molecular formula of psi-Pelletierine?
The molecular formula of psi-Pelletierine is C9H15NO.
What is the molecular weight of psi-Pelletierine?
The molecular weight of psi-Pelletierine is 153.11537 g/mol.
What are the applications of psi-Pelletierine?
psi-Pelletierine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy psi-Pelletierine?
You can request a quote for psi-Pelletierine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for psi-Pelletierine?
Yes, CoreyChem provides custom synthesis services for psi-Pelletierine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.