Diisodecyl Adipate
TL;DR: Diisodecyl Adipate (CAS 27178-16-1) 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(8-methylnonyl) hexanedioate
Also Known As: DIISODECYL ADIPATE, Monoplex DDA, diisodecyl ester, Diisodecyl hexanedioate, hexanedioic acid
| 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 | 27178-16-1 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C |
| InChIKey | YKGYQYOQRGPFTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisodecyl Adipate (CAS 27178-16-1), with molecular formula C26H50O4 and molecular weight 426.37 g/mol. IUPAC: bis(8-methylnonyl) hexanedioate.
Chemical Property Profile of Diisodecyl Adipate
Property Insights of Diisodecyl Adipate
The XLogP value of 9.0 indicates that Diisodecyl Adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisodecyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisodecyl Adipate 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 Diisodecyl Adipate?
The CAS number of Diisodecyl Adipate is 27178-16-1.
What is the molecular formula of Diisodecyl Adipate?
The molecular formula of Diisodecyl Adipate is C26H50O4.
What is the molecular weight of Diisodecyl Adipate?
The molecular weight of Diisodecyl Adipate is 426.37 g/mol.
Where can I buy Diisodecyl Adipate?
You can request a quote for Diisodecyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisodecyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisodecyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.