1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane
TL;DR: 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane (CAS 40473-48-1) is a chemical compound with molecular formula C7H15N2+ and molecular weight 127.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane
Also Known As: N-Methyltriethylenediamine, 1-Methyl-1-azonia-4-azabicyclo[2.2.2]octane, 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane, 4-methyl-1-aza-4-azoniabicyclo[2.2.2]octane, 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium
| Molecular Formula | C7H15N2+ |
|---|---|
| Molecular Weight | 127.12 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.12352 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 40473-48-1 |
|---|---|
| SMILES | C[N+]12CCN(CC1)CC2 |
| InChIKey | JNSNZDTWADRPFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane (CAS 40473-48-1), with molecular formula C7H15N2+ and molecular weight 127.12 g/mol. IUPAC: 1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane.
Chemical Property Profile of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane
Property Insights of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane
The XLogP value of -0.1 indicates that 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.2 Ų, 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane 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 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane?
The CAS number of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane is 40473-48-1.
What is the molecular formula of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane?
The molecular formula of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane is C7H15N2+.
What is the molecular weight of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane?
The molecular weight of 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane is 127.12 g/mol.
Where can I buy 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane?
You can request a quote for 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-Aza-1-azoniabicyclo[2.2.2Joctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.