Octyldodecyl Stearoyl Stearate
TL;DR: Octyldodecyl Stearoyl Stearate (CAS 90053-00-2) is a chemical compound with molecular formula C56H110O4 and molecular weight 846.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyldodecyl 12-octadecanoyloxyoctadecanoate
Also Known As: Octyldodecyl stearoyl stearate, JEECHEM OSS, PELEMOL ODSS, CERAPHY 847, CORUM 5047
| Molecular Formula | C56H110O4 |
|---|---|
| Molecular Weight | 846.84 g/mol |
| LogP | 25.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 53 |
| Exact Mass | 846.8404 |
| Heavy Atoms | 60 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 90053-00-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC |
| InChIKey | XMFXBMLFOSSELI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyldodecyl Stearoyl Stearate (CAS 90053-00-2), with molecular formula C56H110O4 and molecular weight 846.84 g/mol. IUPAC: 2-octyldodecyl 12-octadecanoyloxyoctadecanoate.
Chemical Property Profile of Octyldodecyl Stearoyl Stearate
Property Insights of Octyldodecyl Stearoyl Stearate
The XLogP value of 25.2 indicates that Octyldodecyl Stearoyl Stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Octyldodecyl Stearoyl Stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyldodecyl Stearoyl Stearate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyldodecyl Stearoyl Stearate?
The CAS number of Octyldodecyl Stearoyl Stearate is 90053-00-2.
What is the molecular formula of Octyldodecyl Stearoyl Stearate?
The molecular formula of Octyldodecyl Stearoyl Stearate is C56H110O4.
What is the molecular weight of Octyldodecyl Stearoyl Stearate?
The molecular weight of Octyldodecyl Stearoyl Stearate is 846.84 g/mol.
Where can I buy Octyldodecyl Stearoyl Stearate?
You can request a quote for Octyldodecyl Stearoyl Stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyldodecyl Stearoyl Stearate?
Yes, KEHONG BIO provides custom synthesis services for Octyldodecyl Stearoyl Stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.