Methyl 9,10-epoxyoctadecanoate
TL;DR: Methyl 9,10-epoxyoctadecanoate (CAS 2566-91-8) is a chemical compound with molecular formula C19H36O3 and molecular weight 312.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: Methyl 9,10-epoxystearate, methyl 8-(3-octyloxiran-2-yl)octanoate, Methyl epoxystearate, Methyl 9,10-epoxyoctadecanoate, 2-Oxiraneoctanoic acid,3-octyl-, methyl ester
| Molecular Formula | C19H36O3 |
|---|---|
| Molecular Weight | 312.27 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.26645 |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 2566-91-8 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OC |
| InChIKey | CAMHHLOGFDZBBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9,10-epoxyoctadecanoate (CAS 2566-91-8), with molecular formula C19H36O3 and molecular weight 312.27 g/mol. IUPAC: methyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Methyl 9,10-epoxyoctadecanoate
Property Insights of Methyl 9,10-epoxyoctadecanoate
The XLogP value of 6.5 indicates that Methyl 9,10-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, Methyl 9,10-epoxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9,10-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 Methyl 9,10-epoxyoctadecanoate?
The CAS number of Methyl 9,10-epoxyoctadecanoate is 2566-91-8.
What is the molecular formula of Methyl 9,10-epoxyoctadecanoate?
The molecular formula of Methyl 9,10-epoxyoctadecanoate is C19H36O3.
What is the molecular weight of Methyl 9,10-epoxyoctadecanoate?
The molecular weight of Methyl 9,10-epoxyoctadecanoate is 312.27 g/mol.
Where can I buy Methyl 9,10-epoxyoctadecanoate?
You can request a quote for Methyl 9,10-epoxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9,10-epoxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9,10-epoxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.