Diisotridecyl adipate
TL;DR: Diisotridecyl adipate (CAS 26401-35-4) is a chemical compound with molecular formula C32H62O4 and molecular weight 510.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(11-methyldodecyl) hexanedioate
Also Known As: Diisotridecyl adipate, diisotridecyladipate, di-isotridecyl adipate, bis(11-methyldodecyl) adipate, bis(11-methyldodecyl) hexanedioate
| Molecular Formula | C32H62O4 |
|---|---|
| Molecular Weight | 510.46 g/mol |
| LogP | 12.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 29 |
| Exact Mass | 510.4648 |
| Heavy Atoms | 36 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 26401-35-4 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | WPUKZOKYKHYASK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisotridecyl adipate (CAS 26401-35-4), with molecular formula C32H62O4 and molecular weight 510.46 g/mol. IUPAC: bis(11-methyldodecyl) hexanedioate.
Chemical Property Profile of Diisotridecyl adipate
Property Insights of Diisotridecyl adipate
The XLogP value of 12.3 indicates that Diisotridecyl 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, Diisotridecyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisotridecyl 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 Diisotridecyl adipate?
The CAS number of Diisotridecyl adipate is 26401-35-4.
What is the molecular formula of Diisotridecyl adipate?
The molecular formula of Diisotridecyl adipate is C32H62O4.
What is the molecular weight of Diisotridecyl adipate?
The molecular weight of Diisotridecyl adipate is 510.46 g/mol.
Where can I buy Diisotridecyl adipate?
You can request a quote for Diisotridecyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisotridecyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisotridecyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.