3-Methylquinuclidine
TL;DR: 3-Methylquinuclidine (CAS 695-88-5) is a chemical compound with molecular formula CC1CN2CCC1CC2 and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-azabicyclo[2.2.2]octane
Also Known As: 3-Methylquinuclidine, Quinuclidine, 3-methyl-, 3-methyl-1-azabicyclo[2.2.2]octane, 1-Azabicyclo[2.2.2]octane, 3-methyl-, 1-azabicyclo(2.2.2)-octane, 3-methyl-
| Molecular Formula | CC1CN2CCC1CC2 |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 695-88-5 |
|---|---|
| SMILES | CC1CN2CCC1CC2 |
| InChIKey | MWBULQNPGVGHKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylquinuclidine (CAS 695-88-5), with molecular formula CC1CN2CCC1CC2 and molecular weight 125.12 g/mol. IUPAC: 3-methyl-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 3-Methylquinuclidine
Property Insights of 3-Methylquinuclidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylquinuclidine. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Methylquinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylquinuclidine 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 3-Methylquinuclidine?
The CAS number of 3-Methylquinuclidine is 695-88-5.
What is the molecular formula of 3-Methylquinuclidine?
The molecular formula of 3-Methylquinuclidine is CC1CN2CCC1CC2.
What is the molecular weight of 3-Methylquinuclidine?
The molecular weight of 3-Methylquinuclidine is 125.12 g/mol.
Where can I buy 3-Methylquinuclidine?
You can request a quote for 3-Methylquinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylquinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylquinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.