Pseudopelletierine
TL;DR: Pseudopelletierine (CAS 28861-13-4) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Also Known As: Pseudopelletierine, pseudo-Pelletierine, Pseudopelletierin, Pseudopunicine, Granatonine
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.2022 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 162.40155 |
Chemical Identifiers
| CAS Number | 28861-13-4 |
|---|---|
| SMILES | CN1[C@@H]2CCC[C@H]1CC(=O)C2 |
Product Overview
Pseudopelletierine (CAS 28861-13-4), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.
Chemical Property Profile of Pseudopelletierine
Property Insights of Pseudopelletierine
The XLogP value of 1.2022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudopelletierine. With a topological polar surface area (TPSA) of 20.31 Ų, Pseudopelletierine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudopelletierine 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 Pseudopelletierine?
The CAS number of Pseudopelletierine is 28861-13-4.
What is the molecular formula of Pseudopelletierine?
The molecular formula of Pseudopelletierine is C9H15NO.
What is the molecular weight of Pseudopelletierine?
The molecular weight of Pseudopelletierine is 153.12 g/mol.
Where can I buy Pseudopelletierine?
You can request a quote for Pseudopelletierine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudopelletierine?
Yes, KEHONG BIO provides custom synthesis services for Pseudopelletierine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.