伪石榴碱
TL;DR: 伪石榴碱 (CAS 552-70-5) 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.
伪石榴碱
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
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
| Melting Point | 62 - 64 °C |
| Boiling Point | 246.00 °C. @ 760.00 mm Hg |
| Solubility | 400 mg/mL |
Chemical Identifiers
| CAS Number | 552-70-5 |
|---|---|
| SMILES | CN1C2CCCC1CC(=O)C2 |
| InChIKey | RHWSKVCZXBAWLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
伪石榴碱 (CAS 552-70-5), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 9-methyl-9-azabicyclo[3.3.1]nonan-3-one.
Chemical Property Profile of 伪石榴碱
Property Insights of 伪石榴碱
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 伪石榴碱. With a topological polar surface area (TPSA) of 20.3 Ų, 伪石榴碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 伪石榴碱 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 伪石榴碱?
The CAS number of 伪石榴碱 is 552-70-5.
What is the molecular formula of 伪石榴碱?
The molecular formula of 伪石榴碱 is C9H15NO.
What is the molecular weight of 伪石榴碱?
The molecular weight of 伪石榴碱 is 153.12 g/mol.
Where can I buy 伪石榴碱?
You can request a quote for 伪石榴碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伪石榴碱?
Yes, KEHONG BIO provides custom synthesis services for 伪石榴碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.