Diisooctyl Sebacate
TL;DR: Diisooctyl Sebacate (CAS 27214-90-0) is a chemical compound with molecular formula C26H50O4 and molecular weight 426.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptyl) decanedioate
Also Known As: Diisooctyl sebacate, Di-n-octyl sebacate, bis(6-methylheptyl) decanedioate, Diisooctylsebacate, Decanedioic acid, diisooctyl ester
| Molecular Formula | C26H50O4 |
|---|---|
| Molecular Weight | 426.37 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 426.3709 |
| Heavy Atoms | 30 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 27214-90-0 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C |
| InChIKey | ZWYAVGUHWPLBGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisooctyl Sebacate (CAS 27214-90-0), with molecular formula C26H50O4 and molecular weight 426.37 g/mol. IUPAC: bis(6-methylheptyl) decanedioate.
Chemical Property Profile of Diisooctyl Sebacate
Property Insights of Diisooctyl Sebacate
The XLogP value of 9.0 indicates that Diisooctyl Sebacate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisooctyl Sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisooctyl Sebacate 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 Diisooctyl Sebacate?
The CAS number of Diisooctyl Sebacate is 27214-90-0.
What is the molecular formula of Diisooctyl Sebacate?
The molecular formula of Diisooctyl Sebacate is C26H50O4.
What is the molecular weight of Diisooctyl Sebacate?
The molecular weight of Diisooctyl Sebacate is 426.37 g/mol.
Where can I buy Diisooctyl Sebacate?
You can request a quote for Diisooctyl Sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisooctyl Sebacate?
Yes, KEHONG BIO provides custom synthesis services for Diisooctyl Sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.