Dioctyl decanedioate
TL;DR: Dioctyl decanedioate (CAS 2432-87-3) 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.
dioctyl decanedioate
Also Known As: Di-n-octyl sebacate, Dioctyl sebacate, Dioctyl decanedioate, Decanedioic acid, dioctyl ester, Octyl sebacate
| Molecular Formula | C26H50O4 |
|---|---|
| Molecular Weight | 426.37 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 426.3709 |
| Heavy Atoms | 30 |
| Complexity | 345.0 |
| Melting Point | -48 °C |
| Density | 0.914 @ 20°C |
Chemical Identifiers
| CAS Number | 2432-87-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC |
| InChIKey | MIMDHDXOBDPUQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctyl decanedioate (CAS 2432-87-3), with molecular formula C26H50O4 and molecular weight 426.37 g/mol. IUPAC: dioctyl decanedioate.
Chemical Property Profile of Dioctyl decanedioate
Property Insights of Dioctyl decanedioate
The XLogP value of 9.6 indicates that Dioctyl decanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioctyl decanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyl decanedioate 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 Dioctyl decanedioate?
The CAS number of Dioctyl decanedioate is 2432-87-3.
What is the molecular formula of Dioctyl decanedioate?
The molecular formula of Dioctyl decanedioate is C26H50O4.
What is the molecular weight of Dioctyl decanedioate?
The molecular weight of Dioctyl decanedioate is 426.37 g/mol.
Where can I buy Dioctyl decanedioate?
You can request a quote for Dioctyl decanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyl decanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyl decanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.