奎宁环
TL;DR: 奎宁环 (CAS 100-76-5) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奎宁环
1-azabicyclo[2.2.2]octane
Also Known As: QUINUCLIDINE, 1-Azabicyclo[2.2.2]octane, Chinuclidin, 1,4-Ethanopiperidine, 1,4-Ethylenepiperidine
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 100-76-5 |
|---|---|
| SMILES | C1CN2CCC1CC2 |
| InChIKey | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奎宁环 (CAS 100-76-5), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 奎宁环
Property Insights of 奎宁环
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奎宁环. With a topological polar surface area (TPSA) of 3.2 Ų, 奎宁环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奎宁环 has 0 hydrogen bond donor(s) and 1 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 奎宁环?
The CAS number of 奎宁环 is 100-76-5.
What is the molecular formula of 奎宁环?
The molecular formula of 奎宁环 is C7H13N.
What is the molecular weight of 奎宁环?
The molecular weight of 奎宁环 is 111.10 g/mol.
Where can I buy 奎宁环?
You can request a quote for 奎宁环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎宁环?
Yes, KEHONG BIO provides custom synthesis services for 奎宁环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.