十八烷酸异辛酯
TL;DR: 十八烷酸异辛酯 (CAS 53428-54-9) is a chemical compound with molecular formula C26H52O2 and molecular weight 396.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十八烷酸异辛酯
6-methylheptyl octadecanoate
Also Known As: Isooctyl stearate, 6-methylheptyl octadecanoate, Stearyl isooctanoate, Octadecanoic acid, isooctyl ester, 6-methylheptyl stearate
| Molecular Formula | C26H52O2 |
|---|---|
| Molecular Weight | 396.40 g/mol |
| LogP | 11.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 396.39673 |
| Heavy Atoms | 28 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 53428-54-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C |
| InChIKey | SJIDAAGFCNIAJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十八烷酸异辛酯 (CAS 53428-54-9), with molecular formula C26H52O2 and molecular weight 396.40 g/mol. IUPAC: 6-methylheptyl octadecanoate.
Chemical Property Profile of 十八烷酸异辛酯
Property Insights of 十八烷酸异辛酯
The XLogP value of 11.7 indicates that 十八烷酸异辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 十八烷酸异辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十八烷酸异辛酯 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 十八烷酸异辛酯?
The CAS number of 十八烷酸异辛酯 is 53428-54-9.
What is the molecular formula of 十八烷酸异辛酯?
The molecular formula of 十八烷酸异辛酯 is C26H52O2.
What is the molecular weight of 十八烷酸异辛酯?
The molecular weight of 十八烷酸异辛酯 is 396.40 g/mol.
Where can I buy 十八烷酸异辛酯?
You can request a quote for 十八烷酸异辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十八烷酸异辛酯?
Yes, KEHONG BIO provides custom synthesis services for 十八烷酸异辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.