Trihydroxystearin
TL;DR: Trihydroxystearin (CAS 139-44-6) is a chemical compound with molecular formula C57H110O9 and molecular weight 938.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
Also Known As: Trihydroxystearin, Hydrogenated castor oil, Thixin R, Castorwax, Thixcin R
| Molecular Formula | C57H110O9 |
|---|---|
| Molecular Weight | 938.82 g/mol |
| LogP | 19.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 56 |
| Exact Mass | 938.815 |
| Heavy Atoms | 66 |
| Complexity | 983.0 |
Chemical Identifiers
| CAS Number | 139-44-6 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O |
| InChIKey | WCOXQTXVACYMLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trihydroxystearin (CAS 139-44-6), with molecular formula C57H110O9 and molecular weight 938.82 g/mol. IUPAC: 2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate.
Chemical Property Profile of Trihydroxystearin
Property Insights of Trihydroxystearin
The XLogP value of 19.5 indicates that Trihydroxystearin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Trihydroxystearin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trihydroxystearin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trihydroxystearin?
The CAS number of Trihydroxystearin is 139-44-6.
What is the molecular formula of Trihydroxystearin?
The molecular formula of Trihydroxystearin is C57H110O9.
What is the molecular weight of Trihydroxystearin?
The molecular weight of Trihydroxystearin is 938.82 g/mol.
Where can I buy Trihydroxystearin?
You can request a quote for Trihydroxystearin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trihydroxystearin?
Yes, KEHONG BIO provides custom synthesis services for Trihydroxystearin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.