Sorbitan Triisostearate
TL;DR: Sorbitan Triisostearate (CAS 54392-27-7) is a chemical compound with molecular formula C60H114O8 and molecular weight 962.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methylheptadecanoyloxy)ethyl]-4-(16-methylheptadecanoyloxy)oxolan-3-yl] 16-methylheptadecanoate
Also Known As: Sorbitan triisostearate, Sorbitan, triisooctadecanoate, Anhydrosorbitol triisostearate, Isostearic acid, sorbitan ester (3:1), SORBITAN TRIISOSTEARATE [INCI]
| Molecular Formula | C60H114O8 |
|---|---|
| Molecular Weight | 962.85 g/mol |
| LogP | 23.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 53 |
| Exact Mass | 962.8514 |
| Heavy Atoms | 68 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 54392-27-7 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O[C@H]1CO[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC(C)C)[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | QWSHIYVIOOXKLL-LLPUSWRMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sorbitan Triisostearate (CAS 54392-27-7), with molecular formula C60H114O8 and molecular weight 962.85 g/mol. IUPAC: [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(16-methylheptadecanoyloxy)ethyl]-4-(16-methylheptadecanoyloxy)oxolan-3-yl] 16-methylheptadecanoate.
Chemical Property Profile of Sorbitan Triisostearate
Property Insights of Sorbitan Triisostearate
The XLogP value of 23.5 indicates that Sorbitan Triisostearate 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 Triisostearate. Following Lipinski's Rule of Five, Sorbitan Triisostearate 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 Triisostearate?
The CAS number of Sorbitan Triisostearate is 54392-27-7.
What is the molecular formula of Sorbitan Triisostearate?
The molecular formula of Sorbitan Triisostearate is C60H114O8.
What is the molecular weight of Sorbitan Triisostearate?
The molecular weight of Sorbitan Triisostearate is 962.85 g/mol.
Where can I buy Sorbitan Triisostearate?
You can request a quote for Sorbitan Triisostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbitan Triisostearate?
Yes, KEHONG BIO provides custom synthesis services for Sorbitan Triisostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.