3,5,5-三甲基己酸异十三烷基酯
TL;DR: 3,5,5-三甲基己酸异十三烷基酯 (CAS 59231-37-7) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-三甲基己酸异十三烷基酯
11-methyldodecyl 3,5,5-trimethylhexanoate
Also Known As: Isotridecyl isononanoate, Wickenol 153, 11-methyldodecyl 3,5,5-trimethylhexanoate, Isotridecyl 3,5,5-trimethylhexanoate, SALACOS 913
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 59231-37-7 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C |
| InChIKey | WAYINTBTZWQNSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,5-三甲基己酸异十三烷基酯 (CAS 59231-37-7), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: 11-methyldodecyl 3,5,5-trimethylhexanoate.
Chemical Property Profile of 3,5,5-三甲基己酸异十三烷基酯
Property Insights of 3,5,5-三甲基己酸异十三烷基酯
The XLogP value of 8.9 indicates that 3,5,5-三甲基己酸异十三烷基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5,5-三甲基己酸异十三烷基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-三甲基己酸异十三烷基酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5,5-三甲基己酸异十三烷基酯?
The CAS number of 3,5,5-三甲基己酸异十三烷基酯 is 59231-37-7.
What is the molecular formula of 3,5,5-三甲基己酸异十三烷基酯?
The molecular formula of 3,5,5-三甲基己酸异十三烷基酯 is C22H44O2.
What is the molecular weight of 3,5,5-三甲基己酸异十三烷基酯?
The molecular weight of 3,5,5-三甲基己酸异十三烷基酯 is 340.33 g/mol.
Where can I buy 3,5,5-三甲基己酸异十三烷基酯?
You can request a quote for 3,5,5-三甲基己酸异十三烷基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-三甲基己酸异十三烷基酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-三甲基己酸异十三烷基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.