RefChem:863475
TL;DR: RefChem:863475 (CAS 64346-20-9) is a chemical compound with molecular formula C44H90N2O12S2 and molecular weight 902.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl hexadecanoate;methyl sulfate
Also Known As: Piperazinium, 1,4-dimethyl-1,4-bis[2-[(1-oxohexadecyl)oxy]ethyl]-, bis(methyl sulfate), Piperazinium, 1,4-dimethyl-1,4-bis(2-((1-oxohexadecyl)oxy)ethyl)-, bis(methyl sulfate), Piperazinium, 1,4-dimethyl-1,4-bis(2-((1-oxohexadecyl)oxy)ethyl)-, methyl sulfate (1:2), 1,4-Bis[2-(hexadecanoyloxy)ethyl]-1,4-dimethylpiperazine-1,4-diium bis(methyl sulfate), 1,4-Dimethyl-1,4-bis(2-(palmitoyloxy)ethyl)piperazindiium S,S'-dimethyl disulphate
| Molecular Formula | C44H90N2O12S2 |
|---|---|
| Molecular Weight | 902.59 g/mol |
| LogP | 9.13 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Exact Mass | 902.5935 |
| Heavy Atoms | 60 |
| Complexity | 779.0 |
Chemical Identifiers
| CAS Number | 64346-20-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC[N+]1(CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | XUQJNILJMWTAIW-UHFFFAOYSA-L |
Product Overview
RefChem:863475 (CAS 64346-20-9), with molecular formula C44H90N2O12S2 and molecular weight 902.59 g/mol. IUPAC: 2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl hexadecanoate;methyl sulfate.
Chemical Property Profile of RefChem:863475
Property Insights of RefChem:863475
The XLogP value of 9.13 indicates that RefChem:863475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.0 Ų indicates high polarity, suggesting RefChem:863475 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:863475 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:863475?
The CAS number of RefChem:863475 is 64346-20-9.
What is the molecular formula of RefChem:863475?
The molecular formula of RefChem:863475 is C44H90N2O12S2.
What is the molecular weight of RefChem:863475?
The molecular weight of RefChem:863475 is 902.59 g/mol.
Where can I buy RefChem:863475?
You can request a quote for RefChem:863475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:863475?
Yes, KEHONG BIO provides custom synthesis services for RefChem:863475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.