Bis(3,5,5-trimethylhexyl) maleate
TL;DR: Bis(3,5,5-trimethylhexyl) maleate (CAS 60100-39-2) is a chemical compound with molecular formula C22H40O4 and molecular weight 368.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,5,5-trimethylhexyl) but-2-enedioate
Also Known As: Bis(3,5,5-trimethylhexyl) maleate, bis(3,5,5-trimethylhexyl) but-2-enedioate, bis-(3,5,5-Trimethylhexyl) maleate, Bis-(3.5.5-trimethyl-hexyl)-maleinat, 2-Butenedioic acid(2Z)-, 1,4-bis(3,5,5-trimethylhexyl) ester
| Molecular Formula | C22H40O4 |
|---|---|
| Molecular Weight | 368.29 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 368.29266 |
| Heavy Atoms | 26 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 60100-39-2 |
|---|---|
| SMILES | CC(CCOC(=O)C=CC(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | ZVGNLPOWWIWPER-UHFFFAOYSA-N |
Product Overview
Bis(3,5,5-trimethylhexyl) maleate (CAS 60100-39-2), with molecular formula C22H40O4 and molecular weight 368.29 g/mol. IUPAC: bis(3,5,5-trimethylhexyl) but-2-enedioate.
Chemical Property Profile of Bis(3,5,5-trimethylhexyl) maleate
Property Insights of Bis(3,5,5-trimethylhexyl) maleate
The XLogP value of 7.0 indicates that Bis(3,5,5-trimethylhexyl) 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, Bis(3,5,5-trimethylhexyl) maleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,5,5-trimethylhexyl) maleate 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 Bis(3,5,5-trimethylhexyl) maleate?
The CAS number of Bis(3,5,5-trimethylhexyl) maleate is 60100-39-2.
What is the molecular formula of Bis(3,5,5-trimethylhexyl) maleate?
The molecular formula of Bis(3,5,5-trimethylhexyl) maleate is C22H40O4.
What is the molecular weight of Bis(3,5,5-trimethylhexyl) maleate?
The molecular weight of Bis(3,5,5-trimethylhexyl) maleate is 368.29 g/mol.
Where can I buy Bis(3,5,5-trimethylhexyl) maleate?
You can request a quote for Bis(3,5,5-trimethylhexyl) maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,5,5-trimethylhexyl) maleate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,5,5-trimethylhexyl) maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.