9,10-12,13-Diepoxyoctadecanoate
TL;DR: 9,10-12,13-Diepoxyoctadecanoate (CAS 3012-69-9) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid
Also Known As: Diepoxylinoleic acid, Linoleic acid dioxide, 9,10-12,13-Diepoxyoctadecanoate, Methyl 9,10-12,3-diepoxystearate, 9,10:12,13-Diepoxyoctadecanoic acid
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 3012-69-9 |
|---|---|
| SMILES | CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)O |
| InChIKey | LAIUZQCFIABNDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-12,13-Diepoxyoctadecanoate (CAS 3012-69-9), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoic acid.
Chemical Property Profile of 9,10-12,13-Diepoxyoctadecanoate
Property Insights of 9,10-12,13-Diepoxyoctadecanoate
The XLogP value of 4.6 indicates that 9,10-12,13-Diepoxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-12,13-Diepoxyoctadecanoate. Following Lipinski's Rule of Five, 9,10-12,13-Diepoxyoctadecanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-12,13-Diepoxyoctadecanoate?
The CAS number of 9,10-12,13-Diepoxyoctadecanoate is 3012-69-9.
What is the molecular formula of 9,10-12,13-Diepoxyoctadecanoate?
The molecular formula of 9,10-12,13-Diepoxyoctadecanoate is C18H32O4.
What is the molecular weight of 9,10-12,13-Diepoxyoctadecanoate?
The molecular weight of 9,10-12,13-Diepoxyoctadecanoate is 312.23 g/mol.
Where can I buy 9,10-12,13-Diepoxyoctadecanoate?
You can request a quote for 9,10-12,13-Diepoxyoctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-12,13-Diepoxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 9,10-12,13-Diepoxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.