Bis(3,5,5-trimethylhexyl) adipate
TL;DR: Bis(3,5,5-trimethylhexyl) adipate (CAS 20270-50-2) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.3396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(3,5,5-trimethylhexyl) hexanedioate
Also Known As: Bis(3,5,5-trimethylhexyl) adipate, bis(3,5,5-trimethylhexyl) hexanedioate, bis-(3,5,5-Trimethylhexyl) adipate, Hexanedioic acid bis(3,5,5-trimethylhexyl) ester, 1,6-BIS(3,5,5-TRIMETHYLHEXYL) HEXANEDIOATE
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H46O4 |
| Molecular Weight | 398.3396 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 398.3396 Da |
| Heavy Atoms | 28 |
| Complexity | 401.0 |
| SMILES | CC(CCOC(=O)CCCCC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | ISQGOXKDLGVOKQ-UHFFFAOYSA-N |
Chemical Property Profile of Bis(3,5,5-trimethylhexyl) adipate
Property Insights of Bis(3,5,5-trimethylhexyl) adipate
The XLogP value of 7.4 indicates that Bis(3,5,5-trimethylhexyl) 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, Bis(3,5,5-trimethylhexyl) adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,5,5-trimethylhexyl) adipate 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 Bis(3,5,5-trimethylhexyl) adipate?
The CAS number of Bis(3,5,5-trimethylhexyl) adipate is 20270-50-2.
What is the molecular formula of Bis(3,5,5-trimethylhexyl) adipate?
The molecular formula of Bis(3,5,5-trimethylhexyl) adipate is C24H46O4.
What is the molecular weight of Bis(3,5,5-trimethylhexyl) adipate?
The molecular weight of Bis(3,5,5-trimethylhexyl) adipate is 398.3396 g/mol.
Where can I buy Bis(3,5,5-trimethylhexyl) adipate?
You can request a quote for Bis(3,5,5-trimethylhexyl) adipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(3,5,5-trimethylhexyl) adipate?
Yes, CoreyChem provides custom synthesis services for Bis(3,5,5-trimethylhexyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.