Sorbitan, dioctadecanoate
TL;DR: Sorbitan, dioctadecanoate (CAS 42392-31-4) 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.
[(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]oxolan-3-yl] octadecanoate
Also Known As: Sorbitan distearate, Sorbitan, dioctadecanoate, Sorbitan dioctadecanoate, azetadine hydrochloride, Anhydrosorbitol distearate
| Molecular Formula | C42H80O7 |
|---|---|
| Molecular Weight | 696.59 g/mol |
| LogP | 15.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 38 |
| Exact Mass | 696.5904 |
| Heavy Atoms | 49 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 42392-31-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](COC1[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC)O |
| InChIKey | CFSBKZAGHNEMSD-MCEKWJMISA-N |
Product Overview
Sorbitan, dioctadecanoate (CAS 42392-31-4), with molecular formula C42H80O7 and molecular weight 696.59 g/mol. IUPAC: [(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-octadecanoyloxyethyl]oxolan-3-yl] octadecanoate.
Chemical Property Profile of Sorbitan, dioctadecanoate
Property Insights of Sorbitan, dioctadecanoate
The XLogP value of 15.3 indicates that Sorbitan, dioctadecanoate 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, dioctadecanoate. Following Lipinski's Rule of Five, Sorbitan, dioctadecanoate 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, dioctadecanoate?
The CAS number of Sorbitan, dioctadecanoate is 42392-31-4.
What is the molecular formula of Sorbitan, dioctadecanoate?
The molecular formula of Sorbitan, dioctadecanoate is C42H80O7.
What is the molecular weight of Sorbitan, dioctadecanoate?
The molecular weight of Sorbitan, dioctadecanoate is 696.59 g/mol.
Where can I buy Sorbitan, dioctadecanoate?
You can request a quote for Sorbitan, dioctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbitan, dioctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Sorbitan, dioctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.