1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane
TL;DR: 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane (CAS 5471-64-7) is a chemical compound with molecular formula C20H42N2+2 and molecular weight 310.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium
Also Known As: NCIStruc1_000977, NCIStruc2_001094, NCI60_002328, 1-methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane, 1-methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium
| Molecular Formula | C20H42N2+2 |
|---|---|
| Molecular Weight | 310.33 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.3348 |
| Heavy Atoms | 22 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5471-64-7 |
|---|---|
| SMILES | C[N+]1(CCCCCCC1)CCCC[N+]2(CCCCCCC2)C |
| InChIKey | MWWXYVRLUBXHBW-UHFFFAOYSA-N |
Product Overview
1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane (CAS 5471-64-7), with molecular formula C20H42N2+2 and molecular weight 310.33 g/mol. IUPAC: 1-methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium.
Chemical Property Profile of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane
Property Insights of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane
The XLogP value of 4.5 indicates that 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane 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-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane?
The CAS number of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane is 5471-64-7.
What is the molecular formula of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane?
The molecular formula of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane is C20H42N2+2.
What is the molecular weight of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane?
The molecular weight of 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane is 310.33 g/mol.
Where can I buy 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane?
You can request a quote for 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-(4-(1-methyl-15-azocan-1-yl)butyl)-15-azocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.