Dioctyl oxalate
TL;DR: Dioctyl oxalate (CAS 20760-45-6) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl oxalate
Also Known As: Dioctyl oxalate, Dioctyl ethanedioate, dioctyl ethane-1,2-dioate, Oxalic acid dioctyl ester, 1,2-Dioctyl ethanedioate
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 20760-45-6 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(=O)OCCCCCCCC |
| InChIKey | PEJVLWCOQVHCAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctyl oxalate (CAS 20760-45-6), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: dioctyl oxalate.
Chemical Property Profile of Dioctyl oxalate
Property Insights of Dioctyl oxalate
The XLogP value of 7.2 indicates that Dioctyl oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioctyl oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyl oxalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dioctyl oxalate?
The CAS number of Dioctyl oxalate is 20760-45-6.
What is the molecular formula of Dioctyl oxalate?
The molecular formula of Dioctyl oxalate is C18H34O4.
What is the molecular weight of Dioctyl oxalate?
The molecular weight of Dioctyl oxalate is 314.25 g/mol.
Where can I buy Dioctyl oxalate?
You can request a quote for Dioctyl oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyl oxalate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyl oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.