Sorbitan, trihexadecanoate
TL;DR: Sorbitan, trihexadecanoate (CAS 54140-20-4) is a chemical compound with molecular formula C54H102O8 and molecular weight 878.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R,5R)-4-hexadecanoyloxy-5-[(1R)-1-hexadecanoyloxy-2-hydroxyethyl]oxolan-3-yl] hexadecanoate
Also Known As: Sorbitan tripalmitate, Sorbitan, trihexadecanoate, Anhydro-D-glucitol tripalmitate, D-Glucitol, anhydro-, trihexadecanoate, 1,4-Anhydro-2,3,5-tri-O-hexadecanoylhexitol
| Molecular Formula | C54H102O8 |
|---|---|
| Molecular Weight | 878.76 g/mol |
| LogP | 21.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 50 |
| Exact Mass | 878.75745 |
| Heavy Atoms | 62 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 54140-20-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | NVANJYGRGNEULT-BDZGGURLSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sorbitan, trihexadecanoate (CAS 54140-20-4), with molecular formula C54H102O8 and molecular weight 878.76 g/mol. IUPAC: [(3S,4R,5R)-4-hexadecanoyloxy-5-[(1R)-1-hexadecanoyloxy-2-hydroxyethyl]oxolan-3-yl] hexadecanoate.
Chemical Property Profile of Sorbitan, trihexadecanoate
Property Insights of Sorbitan, trihexadecanoate
The XLogP value of 21.1 indicates that Sorbitan, trihexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sorbitan, trihexadecanoate. Following Lipinski's Rule of Five, Sorbitan, trihexadecanoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sorbitan, trihexadecanoate?
The CAS number of Sorbitan, trihexadecanoate is 54140-20-4.
What is the molecular formula of Sorbitan, trihexadecanoate?
The molecular formula of Sorbitan, trihexadecanoate is C54H102O8.
What is the molecular weight of Sorbitan, trihexadecanoate?
The molecular weight of Sorbitan, trihexadecanoate is 878.76 g/mol.
Where can I buy Sorbitan, trihexadecanoate?
You can request a quote for Sorbitan, trihexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbitan, trihexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Sorbitan, trihexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.