3-Quinuclidinone
TL;DR: 3-Quinuclidinone (CAS 3731-38-2) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-one
Also Known As: Quinuclidin-3-one, 3-Quinuclidinone, 3-Quinuclidone, Quinuclidone, 1-Azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 3731-38-2 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2 |
| InChIKey | ZKMZPXWMMSBLNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Quinuclidinone (CAS 3731-38-2), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 3-Quinuclidinone
Property Insights of 3-Quinuclidinone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinuclidinone. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Quinuclidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinuclidinone 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 3-Quinuclidinone?
The CAS number of 3-Quinuclidinone is 3731-38-2.
What is the molecular formula of 3-Quinuclidinone?
The molecular formula of 3-Quinuclidinone is C7H11NO.
What is the molecular weight of 3-Quinuclidinone?
The molecular weight of 3-Quinuclidinone is 125.08 g/mol.
Where can I buy 3-Quinuclidinone?
You can request a quote for 3-Quinuclidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.