Dioctadecyl malate
TL;DR: Dioctadecyl malate (CAS 94109-53-2) is a chemical compound with molecular formula C40H78O5 and molecular weight 638.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctadecyl 2-hydroxybutanedioate
Also Known As: Dioctadecyl malate, dioctadecylmalate, distearyl malate, dioctadecyl 2-hydroxybutanedioate, EINECS 302-495-1
| Molecular Formula | C40H78O5 |
|---|---|
| Molecular Weight | 638.58 g/mol |
| LogP | 12.3468 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 37 |
| Exact Mass | 638.5849 |
| Heavy Atoms | 45 |
| Complexity | 607.4924 |
Chemical Identifiers
| CAS Number | 94109-53-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)O |
Product Overview
Dioctadecyl malate (CAS 94109-53-2), with molecular formula C40H78O5 and molecular weight 638.58 g/mol. IUPAC: dioctadecyl 2-hydroxybutanedioate.
Chemical Property Profile of Dioctadecyl malate
Property Insights of Dioctadecyl malate
The XLogP value of 12.3468 indicates that Dioctadecyl malate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dioctadecyl malate. Following Lipinski's Rule of Five, Dioctadecyl malate has 1 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 Dioctadecyl malate?
The CAS number of Dioctadecyl malate is 94109-53-2.
What is the molecular formula of Dioctadecyl malate?
The molecular formula of Dioctadecyl malate is C40H78O5.
What is the molecular weight of Dioctadecyl malate?
The molecular weight of Dioctadecyl malate is 638.58 g/mol.
Where can I buy Dioctadecyl malate?
You can request a quote for Dioctadecyl malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctadecyl malate?
Yes, KEHONG BIO provides custom synthesis services for Dioctadecyl malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.