Diisotridecyl maleate
TL;DR: Diisotridecyl maleate (CAS 53817-59-7) is a chemical compound with molecular formula C30H56O4 and molecular weight 480.41785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(11-methyldodecyl) but-2-enedioate
Also Known As: Diisotridecyl maleate, Bis(11-methyldodecyl) maleate, bis(11-methyldodecyl) but-2-enedioate, 2-Butenedioic acid, (Z)-, diisotridecyl ester, 2-Butenedioic acid(2Z)-, diisotridecyl ester (9CI)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H56O4 |
| Molecular Weight | 480.41785 g/mol |
| XLogP | 11.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 480.41785 Da |
| Heavy Atoms | 34 |
| Complexity | 452.0 |
| SMILES | CC(C)CCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC(C)C |
| InChIKey | JEHBOJVFHNCQJZ-UHFFFAOYSA-N |
Chemical Property Profile of Diisotridecyl maleate
Property Insights of Diisotridecyl maleate
The XLogP value of 11.9 indicates that Diisotridecyl maleate 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 maleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisotridecyl maleate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Diisotridecyl maleate?
The CAS number of Diisotridecyl maleate is 53817-59-7.
What is the molecular formula of Diisotridecyl maleate?
The molecular formula of Diisotridecyl maleate is C30H56O4.
What is the molecular weight of Diisotridecyl maleate?
The molecular weight of Diisotridecyl maleate is 480.41785 g/mol.
Where can I buy Diisotridecyl maleate?
You can request a quote for Diisotridecyl maleate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisotridecyl maleate?
Yes, CoreyChem provides custom synthesis services for Diisotridecyl maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.