1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane
TL;DR: 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane (CAS 45733-46-8) is a chemical compound with molecular formula C8H18N2+2 and molecular weight 142.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane
Also Known As: CN12CCN(C)(CC1)CC2, N,N-Dimethyltriethylenediammonium, 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane, 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane, 1,4-Diazoniabicyclo[2.2.2]octane, 1,4-dimethyl-
| Molecular Formula | C8H18N2+2 |
|---|---|
| Molecular Weight | 142.15 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.147 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 45733-46-8 |
|---|---|
| SMILES | C[N+]12CC[N+](CC1)(CC2)C |
| InChIKey | SESBXFAPJKDPLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane (CAS 45733-46-8), with molecular formula C8H18N2+2 and molecular weight 142.15 g/mol. IUPAC: 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane
Property Insights of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane
The XLogP value of -0.1 indicates that 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane has 0 hydrogen bond donor(s) and 0 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 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane?
The CAS number of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane is 45733-46-8.
What is the molecular formula of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane?
The molecular formula of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane is C8H18N2+2.
What is the molecular weight of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane?
The molecular weight of 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane is 142.15 g/mol.
Where can I buy 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane?
You can request a quote for 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-1lambda(5),4lambda(5)-diazabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.