Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate
TL;DR: Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate (CAS 94159-28-1) is a chemical compound with molecular formula C46H86O11 and molecular weight 814.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxy-3-octadecanoyloxypropyl) 2-hydroxybutanedioate
Also Known As: EINECS 303-206-1, bis[2-hydroxy-3-[oxy]propyl]malate, bis[2-hydroxy-3-[ oxy]propyl]malate, Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate, bis(2-hydroxy-3-octadecanoyloxypropyl) 2-hydroxybutanedioate
| Molecular Formula | C46H86O11 |
|---|---|
| Molecular Weight | 814.62 g/mol |
| LogP | 10.155 |
| Topological Polar Surface Area | 165.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 43 |
| Exact Mass | 814.617 |
| Heavy Atoms | 57 |
| Complexity | 943.33624 |
Chemical Identifiers
| CAS Number | 94159-28-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CC(C(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O)O)O |
Product Overview
Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate (CAS 94159-28-1), with molecular formula C46H86O11 and molecular weight 814.62 g/mol. IUPAC: bis(2-hydroxy-3-octadecanoyloxypropyl) 2-hydroxybutanedioate.
Chemical Property Profile of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate
Property Insights of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate
The XLogP value of 10.155 indicates that Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.89 Ų indicates high polarity, suggesting Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate has 3 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 Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate?
The CAS number of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate is 94159-28-1.
What is the molecular formula of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate?
The molecular formula of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate is C46H86O11.
What is the molecular weight of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate?
The molecular weight of Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate is 814.62 g/mol.
Where can I buy Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate?
You can request a quote for Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-hydroxy-3-((1-oxooctadecyl)oxy)propyl) malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.