1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium
TL;DR: 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium (CAS 82394-46-5) is a chemical compound with molecular formula C13H28N2O2 and molecular weight 244.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium
Also Known As: 1-methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium, 1-Methyl-4-octylpiperazine 1,4-dioxide, 1-methyl-4-octyl-1,4-dioxido-piperazine-1,4-diium, 1-Methyl-4-octyl-1,4-dioxo-1lambda~5~,4lambda~5~-piperazine
| Molecular Formula | C13H28N2O2 |
|---|---|
| Molecular Weight | 244.22 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.21507 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 82394-46-5 |
|---|---|
| SMILES | CCCCCCCC[N+]1(CC[N+](CC1)(C)[O-])[O-] |
| InChIKey | QIUMTCKPOWWWHI-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium (CAS 82394-46-5), with molecular formula C13H28N2O2 and molecular weight 244.22 g/mol. IUPAC: 1-methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium.
Chemical Property Profile of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium
Property Insights of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium. With a topological polar surface area (TPSA) of 36.1 Ų, 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium has 0 hydrogen bond donor(s) and 2 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-octyl-1,4-dioxidopiperazine-1,4-diium?
The CAS number of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium is 82394-46-5.
What is the molecular formula of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium?
The molecular formula of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium is C13H28N2O2.
What is the molecular weight of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium?
The molecular weight of 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium is 244.22 g/mol.
Where can I buy 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium?
You can request a quote for 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium 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-octyl-1,4-dioxidopiperazine-1,4-diium?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-octyl-1,4-dioxidopiperazine-1,4-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.