Sorbitan diisostearate
TL;DR: Sorbitan diisostearate (CAS 68238-87-9) is a chemical compound with molecular formula C42H80O7 and molecular weight 696.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyoxolan-2-yl)-2-(16-methylheptadecanoyloxy)ethyl] 16-methylheptadecanoate
Also Known As: Sorbitan diisostearate, Sorbitan, diisooctadecanoate, Anhydrohexitol diisostearate, Isostearic acid, sorbitan ester (2:1), 3,6-anhydro-1,2-bis-o-(16-methylheptadecanoyl)hexitol
| Molecular Formula | C42H80O7 |
|---|---|
| Molecular Weight | 696.59 g/mol |
| LogP | 14.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 36 |
| Exact Mass | 696.5904 |
| Heavy Atoms | 49 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 68238-87-9 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)OC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | ONJPCDHZCFGTSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sorbitan diisostearate (CAS 68238-87-9), with molecular formula C42H80O7 and molecular weight 696.59 g/mol. IUPAC: [2-(3,4-dihydroxyoxolan-2-yl)-2-(16-methylheptadecanoyloxy)ethyl] 16-methylheptadecanoate.
Chemical Property Profile of Sorbitan diisostearate
Property Insights of Sorbitan diisostearate
The XLogP value of 14.8 indicates that Sorbitan diisostearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sorbitan diisostearate. Following Lipinski's Rule of Five, Sorbitan diisostearate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sorbitan diisostearate?
The CAS number of Sorbitan diisostearate is 68238-87-9.
What is the molecular formula of Sorbitan diisostearate?
The molecular formula of Sorbitan diisostearate is C42H80O7.
What is the molecular weight of Sorbitan diisostearate?
The molecular weight of Sorbitan diisostearate is 696.59 g/mol.
Where can I buy Sorbitan diisostearate?
You can request a quote for Sorbitan diisostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbitan diisostearate?
Yes, KEHONG BIO provides custom synthesis services for Sorbitan diisostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.