Isooctyl epoxyoctadecanoate
TL;DR: Isooctyl epoxyoctadecanoate (CAS 63181-89-5) is a chemical compound with molecular formula C26H50O3 and molecular weight 410.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: Isooctyl epoxyoctadecanoate, Isooctyl 9,10-epoxystearate, isooctyl epoxystearate, Isooctyl 3-octyloxiran-2-octanoate, 6-methylheptyl 8-(3-octyloxiran-2-yl)octanoate
| Molecular Formula | C26H50O3 |
|---|---|
| Molecular Weight | 410.38 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 410.376 |
| Heavy Atoms | 29 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 63181-89-5 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCCCC(C)C |
| InChIKey | ABXXXZLVKKIAGK-UHFFFAOYSA-N |
Product Overview
Isooctyl epoxyoctadecanoate (CAS 63181-89-5), with molecular formula C26H50O3 and molecular weight 410.38 g/mol. IUPAC: 6-methylheptyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Isooctyl epoxyoctadecanoate
Property Insights of Isooctyl epoxyoctadecanoate
The XLogP value of 9.6 indicates that Isooctyl epoxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Isooctyl epoxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctyl epoxyoctadecanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isooctyl epoxyoctadecanoate?
The CAS number of Isooctyl epoxyoctadecanoate is 63181-89-5.
What is the molecular formula of Isooctyl epoxyoctadecanoate?
The molecular formula of Isooctyl epoxyoctadecanoate is C26H50O3.
What is the molecular weight of Isooctyl epoxyoctadecanoate?
The molecular weight of Isooctyl epoxyoctadecanoate is 410.38 g/mol.
Where can I buy Isooctyl epoxyoctadecanoate?
You can request a quote for Isooctyl epoxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctyl epoxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Isooctyl epoxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.