RefChem:436090
TL;DR: RefChem:436090 (CAS 65059-58-7) 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.
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate;methyl hydrogen sulfate
Also Known As: ({2-[bis(2-hydroxypropyl)amino]ethyl}imino)dipropane-1,2-diyl dioctadecanoate- methyl hydrogen sulfate(1:1), 1-Propanaminium, N-(2-(bis(2-hydroxypropyl)amino)ethyl)-2-hydroxy-N-(2-hydroxyethyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (1:1), 1-Propanaminium, N-(2-(bis(2-hydroxypropyl)amino)ethyl)-2-hydroxy-N-(2-hydroxyethyl)-N-methyl-, dioctadecanoate (ester), methyl sulfate (salt), (2-(Bis(2-hydroxypropyl)amino)ethyl)(2-hydroxyethyl)(2-hydroxypropyl)(methyl)ammonium methyl sulphate, distearate (ester), 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate; methyl hydrogen sulfate
| Molecular Formula | C51H104N2O10S |
|---|---|
| Molecular Weight | 936.74 g/mol |
| LogP | 12.17 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 48 |
| Exact Mass | 936.74115 |
| Heavy Atoms | 64 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 65059-58-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)O |
| InChIKey | NGXLWITVACNQBZ-UHFFFAOYSA-N |
Product Overview
RefChem:436090 (CAS 65059-58-7), with molecular formula C51H104N2O10S and molecular weight 936.74 g/mol. IUPAC: 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadecanoyloxypropyl)amino]propan-2-yl octadecanoate;methyl hydrogen sulfate.
Chemical Property Profile of RefChem:436090
Property Insights of RefChem:436090
The XLogP value of 12.17 indicates that RefChem:436090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting RefChem:436090 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:436090 has 3 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:436090?
The CAS number of RefChem:436090 is 65059-58-7.
What is the molecular formula of RefChem:436090?
The molecular formula of RefChem:436090 is C51H104N2O10S.
What is the molecular weight of RefChem:436090?
The molecular weight of RefChem:436090 is 936.74 g/mol.
Where can I buy RefChem:436090?
You can request a quote for RefChem:436090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:436090?
Yes, KEHONG BIO provides custom synthesis services for RefChem:436090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.