硬脂精
TL;DR: 硬脂精 (CAS 555-43-1) is a chemical compound with molecular formula C57H110O6 and molecular weight 890.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硬脂精
2,3-di(octadecanoyloxy)propyl octadecanoate
Also Known As: Glycerol tristearate, Stearin, Glyceryl tristearate, Trioctadecanoin, Propane-1,2,3-triyl tristearate
| Molecular Formula | C57H110O6 |
|---|---|
| Molecular Weight | 890.83 g/mol |
| LogP | 25.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 56 |
| Exact Mass | 890.83026 |
| Heavy Atoms | 63 |
| Complexity | 886.0 |
| Melting Point | MP: 55 °C (ALPHA), 64.5 °C (BETA'), 73 °C (BETA) |
| Density | 0.8559 at 90 °C |
| Solubility | Insoluble in water. Soluble in chloroform, carbon disulfide |
| Vapor Pressure | 5.4X10-17 mm Hg at 25 °C /Estimated/ |
| Refractive Index | = 1.4385 at 80 °C |
Chemical Identifiers
| CAS Number | 555-43-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | DCXXMTOCNZCJGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硬脂精 (CAS 555-43-1), with molecular formula C57H110O6 and molecular weight 890.83 g/mol. IUPAC: 2,3-di(octadecanoyloxy)propyl octadecanoate.
Chemical Property Profile of 硬脂精
Property Insights of 硬脂精
The XLogP value of 25.2 indicates that 硬脂精 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 硬脂精. Following Lipinski's Rule of Five, 硬脂精 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硬脂精?
The CAS number of 硬脂精 is 555-43-1.
What is the molecular formula of 硬脂精?
The molecular formula of 硬脂精 is C57H110O6.
What is the molecular weight of 硬脂精?
The molecular weight of 硬脂精 is 890.83 g/mol.
Where can I buy 硬脂精?
You can request a quote for 硬脂精 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硬脂精?
Yes, KEHONG BIO provides custom synthesis services for 硬脂精 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.