二硬脂酰乙基二甲铵氯化物
TL;DR: 二硬脂酰乙基二甲铵氯化物 (CAS 67846-68-8) is a chemical compound with molecular formula C42H84ClNO4 and molecular weight 701.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硬脂酰乙基二甲铵氯化物
dimethyl-bis(2-octadecanoyloxyethyl)azanium chloride
Also Known As: ESTERQUAT DSEDC, Distearoylethyl dimonium chloride, dimethylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride, di(stearoyloxyethyl)dimethylammonium chloride, N,N-Di-(beta-stearoylethyl)-N,N-dimethylammonium chloride
| Molecular Formula | C42H84ClNO4 |
|---|---|
| Molecular Weight | 701.61 g/mol |
| LogP | 9.68 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 40 |
| Exact Mass | 701.6089 |
| Heavy Atoms | 48 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 67846-68-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.[Cl-] |
| InChIKey | NUCJYHHDSCEKQN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硬脂酰乙基二甲铵氯化物 (CAS 67846-68-8), with molecular formula C42H84ClNO4 and molecular weight 701.61 g/mol. IUPAC: dimethyl-bis(2-octadecanoyloxyethyl)azanium chloride.
Chemical Property Profile of 二硬脂酰乙基二甲铵氯化物
Property Insights of 二硬脂酰乙基二甲铵氯化物
The XLogP value of 9.68 indicates that 二硬脂酰乙基二甲铵氯化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 二硬脂酰乙基二甲铵氯化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二硬脂酰乙基二甲铵氯化物 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二硬脂酰乙基二甲铵氯化物?
The CAS number of 二硬脂酰乙基二甲铵氯化物 is 67846-68-8.
What is the molecular formula of 二硬脂酰乙基二甲铵氯化物?
The molecular formula of 二硬脂酰乙基二甲铵氯化物 is C42H84ClNO4.
What is the molecular weight of 二硬脂酰乙基二甲铵氯化物?
The molecular weight of 二硬脂酰乙基二甲铵氯化物 is 701.61 g/mol.
Where can I buy 二硬脂酰乙基二甲铵氯化物?
You can request a quote for 二硬脂酰乙基二甲铵氯化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硬脂酰乙基二甲铵氯化物?
Yes, KEHONG BIO provides custom synthesis services for 二硬脂酰乙基二甲铵氯化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.