Butyl 9,10-epoxystearate
TL;DR: Butyl 9,10-epoxystearate (CAS 106-83-2) is a chemical compound with molecular formula C22H42O3 and molecular weight 354.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: Butyl epoxystearate, Butylepoxystearate, n-Butyl epoxystearate, Truflex E 74, BUTYL 9,10-EPOXYSTEARATE
| Molecular Formula | C22H42O3 |
|---|---|
| Molecular Weight | 354.31 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 19 |
| Exact Mass | 354.3134 |
| Heavy Atoms | 25 |
| Complexity | 316.0 |
| Density | 0.910 @ 20 °C |
Chemical Identifiers
| CAS Number | 106-83-2 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCC |
| InChIKey | FEXXLIKDYGCVGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 9,10-epoxystearate (CAS 106-83-2), with molecular formula C22H42O3 and molecular weight 354.31 g/mol. IUPAC: butyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Butyl 9,10-epoxystearate
Property Insights of Butyl 9,10-epoxystearate
The XLogP value of 7.7 indicates that Butyl 9,10-epoxystearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Butyl 9,10-epoxystearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 9,10-epoxystearate 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 Butyl 9,10-epoxystearate?
The CAS number of Butyl 9,10-epoxystearate is 106-83-2.
What is the molecular formula of Butyl 9,10-epoxystearate?
The molecular formula of Butyl 9,10-epoxystearate is C22H42O3.
What is the molecular weight of Butyl 9,10-epoxystearate?
The molecular weight of Butyl 9,10-epoxystearate is 354.31 g/mol.
Where can I buy Butyl 9,10-epoxystearate?
You can request a quote for Butyl 9,10-epoxystearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 9,10-epoxystearate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 9,10-epoxystearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.