Tridecyl octanoate
TL;DR: Tridecyl octanoate (CAS 42231-41-4) is a chemical compound with molecular formula C21H42O2 and molecular weight 326.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tridecyl octanoate
Also Known As: Tridecyl octanoate, Tridecyl octanoate #, TRIDECYLOCTANOATE, Octanoic acid, tridecyl ester, n-Octansaeure-n-tridecylester
| Molecular Formula | C21H42O2 |
|---|---|
| Molecular Weight | 326.32 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 326.31848 |
| Heavy Atoms | 23 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 42231-41-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)CCCCCCC |
| InChIKey | JYQFMBYXIWYNBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridecyl octanoate (CAS 42231-41-4), with molecular formula C21H42O2 and molecular weight 326.32 g/mol. IUPAC: tridecyl octanoate.
Chemical Property Profile of Tridecyl octanoate
Property Insights of Tridecyl octanoate
The XLogP value of 9.2 indicates that Tridecyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tridecyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridecyl octanoate 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 Tridecyl octanoate?
The CAS number of Tridecyl octanoate is 42231-41-4.
What is the molecular formula of Tridecyl octanoate?
The molecular formula of Tridecyl octanoate is C21H42O2.
What is the molecular weight of Tridecyl octanoate?
The molecular weight of Tridecyl octanoate is 326.32 g/mol.
Where can I buy Tridecyl octanoate?
You can request a quote for Tridecyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Tridecyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.