Quinuclidine, 3,5-dimethyl-
TL;DR: Quinuclidine, 3,5-dimethyl- (CAS 697-75-6) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-azabicyclo[2.2.2]octane
Also Known As: Quinuclidine, 3,5-dimethyl-, 3,5-Dimethylquinuclidine, 3,5-Dimethylquinuclidine #, 3,5-dimethyl-1-azabicyclo[2.2.2]octane, 1-Azabicyclo[2.2.2]octane, 3,5-dimethyl-
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 697-75-6 |
|---|---|
| SMILES | CC1CN2CCC1C(C2)C |
| InChIKey | NLJHXACFHAFNBH-UHFFFAOYSA-N |
Product Overview
Quinuclidine, 3,5-dimethyl- (CAS 697-75-6), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: 3,5-dimethyl-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of Quinuclidine, 3,5-dimethyl-
Property Insights of Quinuclidine, 3,5-dimethyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidine, 3,5-dimethyl-. With a topological polar surface area (TPSA) of 3.2 Ų, Quinuclidine, 3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidine, 3,5-dimethyl- 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 Quinuclidine, 3,5-dimethyl-?
The CAS number of Quinuclidine, 3,5-dimethyl- is 697-75-6.
What is the molecular formula of Quinuclidine, 3,5-dimethyl-?
The molecular formula of Quinuclidine, 3,5-dimethyl- is C9H17N.
What is the molecular weight of Quinuclidine, 3,5-dimethyl-?
The molecular weight of Quinuclidine, 3,5-dimethyl- is 139.14 g/mol.
Where can I buy Quinuclidine, 3,5-dimethyl-?
You can request a quote for Quinuclidine, 3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidine, 3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidine, 3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.