Oxiraneoctanoic acid, 3-octyl-, octyl ester
TL;DR: Oxiraneoctanoic acid, 3-octyl-, octyl ester (CAS 106-84-3) 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.
octyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: Octyl 9,10-epoxystearate, Lankroflex ED 3, Octyl epoxystearate, Sansocizer E 6000, Octyl 3-Octyloxiraneoctanoic Acid
| Molecular Formula | C26H50O3 |
|---|---|
| Molecular Weight | 410.38 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 410.376 |
| Heavy Atoms | 29 |
| Complexity | 369.0 |
| Flash Point | 216.7 °C OC |
Chemical Identifiers
| CAS Number | 106-84-3 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCCCCCC |
| InChIKey | FIBARIGPBPUBHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiraneoctanoic acid, 3-octyl-, octyl ester (CAS 106-84-3), with molecular formula C26H50O3 and molecular weight 410.38 g/mol. IUPAC: octyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Oxiraneoctanoic acid, 3-octyl-, octyl ester
Property Insights of Oxiraneoctanoic acid, 3-octyl-, octyl ester
The XLogP value of 9.9 indicates that Oxiraneoctanoic acid, 3-octyl-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Oxiraneoctanoic acid, 3-octyl-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxiraneoctanoic acid, 3-octyl-, octyl ester 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 Oxiraneoctanoic acid, 3-octyl-, octyl ester?
The CAS number of Oxiraneoctanoic acid, 3-octyl-, octyl ester is 106-84-3.
What is the molecular formula of Oxiraneoctanoic acid, 3-octyl-, octyl ester?
The molecular formula of Oxiraneoctanoic acid, 3-octyl-, octyl ester is C26H50O3.
What is the molecular weight of Oxiraneoctanoic acid, 3-octyl-, octyl ester?
The molecular weight of Oxiraneoctanoic acid, 3-octyl-, octyl ester is 410.38 g/mol.
Where can I buy Oxiraneoctanoic acid, 3-octyl-, octyl ester?
You can request a quote for Oxiraneoctanoic acid, 3-octyl-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiraneoctanoic acid, 3-octyl-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxiraneoctanoic acid, 3-octyl-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.