RefChem:435944
TL;DR: RefChem:435944 (CAS 65059-55-4) is a chemical compound with molecular formula C51H104N2O10S and molecular weight 936.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium;methyl sulfate
Also Known As: 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt), 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxyethyl)(2-hydroxypropyl)amino)ethyl)-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1), n-{2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl}-n-methyl-2-(octadecanoyloxy)-n-[2-(octadecanoyloxy)propyl]propan-1-aminium methyl sulfate, 1-Propanaminium, 2-hydroxy-N-[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]-N-(2-hydroxypropyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt), (2-((2-Hydroxyethyl)(2-hydroxypropyl)amino)ethyl)bis(2-hydroxypropyl)(methyl)ammonium methyl sulphate, distearate (ester)
| Molecular Formula | C51H104N2O10S |
|---|---|
| Molecular Weight | 936.74 g/mol |
| LogP | 11.59 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 47 |
| Exact Mass | 936.74115 |
| Heavy Atoms | 64 |
| Complexity | 938.0 |
Chemical Identifiers
| CAS Number | 65059-55-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(C)C[N+](C)(CCN(CCO)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-] |
| InChIKey | OMQZQCNSLQFDPV-UHFFFAOYSA-M |
Product Overview
RefChem:435944 (CAS 65059-55-4), with molecular formula C51H104N2O10S and molecular weight 936.74 g/mol. IUPAC: 2-[2-hydroxyethyl(2-hydroxypropyl)amino]ethyl-methyl-bis(2-octadecanoyloxypropyl)azanium;methyl sulfate.
Chemical Property Profile of RefChem:435944
Property Insights of RefChem:435944
The XLogP value of 11.59 indicates that RefChem:435944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:435944 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:435944 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:435944?
The CAS number of RefChem:435944 is 65059-55-4.
What is the molecular formula of RefChem:435944?
The molecular formula of RefChem:435944 is C51H104N2O10S.
What is the molecular weight of RefChem:435944?
The molecular weight of RefChem:435944 is 936.74 g/mol.
Where can I buy RefChem:435944?
You can request a quote for RefChem:435944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:435944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:435944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.