Diisocetyl Adipate
TL;DR: Diisocetyl Adipate (CAS 59686-69-0) is a chemical compound with molecular formula C38H74O4 and molecular weight 594.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(14-methylpentadecyl) hexanedioate
Also Known As: Diisohexadecyl adipate, Diisocetyl adipate, diisohexadecyladipate, bis(14-methylpentadecyl) hexanedioate, Bis(2-hexyldecyl)adipate
| Molecular Formula | C38H74O4 |
|---|---|
| Molecular Weight | 594.56 g/mol |
| LogP | 15.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 35 |
| Exact Mass | 594.5587 |
| Heavy Atoms | 42 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 59686-69-0 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC(C)C |
| InChIKey | BHGAOGZUKUXCDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisocetyl Adipate (CAS 59686-69-0), with molecular formula C38H74O4 and molecular weight 594.56 g/mol. IUPAC: bis(14-methylpentadecyl) hexanedioate.
Chemical Property Profile of Diisocetyl Adipate
Property Insights of Diisocetyl Adipate
The XLogP value of 15.5 indicates that Diisocetyl 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, Diisocetyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisocetyl 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 Diisocetyl Adipate?
The CAS number of Diisocetyl Adipate is 59686-69-0.
What is the molecular formula of Diisocetyl Adipate?
The molecular formula of Diisocetyl Adipate is C38H74O4.
What is the molecular weight of Diisocetyl Adipate?
The molecular weight of Diisocetyl Adipate is 594.56 g/mol.
Where can I buy Diisocetyl Adipate?
You can request a quote for Diisocetyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisocetyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisocetyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.