Dioctyl ethylidenepropanedioate
TL;DR: Dioctyl ethylidenepropanedioate (CAS 6328-26-3) is a chemical compound with molecular formula C21H38O4 and molecular weight 354.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl 2-ethylidenepropanedioate
Also Known As: dioctyl ethylidenepropanedioate, dioctyl 2-ethylidenepropanedioate
| Molecular Formula | C21H38O4 |
|---|---|
| Molecular Weight | 354.28 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 354.277 |
| Heavy Atoms | 25 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 6328-26-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(=CC)C(=O)OCCCCCCCC |
| InChIKey | XMWPSUYSCMSEMQ-UHFFFAOYSA-N |
Product Overview
Dioctyl ethylidenepropanedioate (CAS 6328-26-3), with molecular formula C21H38O4 and molecular weight 354.28 g/mol. IUPAC: dioctyl 2-ethylidenepropanedioate.
Chemical Property Profile of Dioctyl ethylidenepropanedioate
Property Insights of Dioctyl ethylidenepropanedioate
The XLogP value of 7.8 indicates that Dioctyl ethylidenepropanedioate 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 ethylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctyl ethylidenepropanedioate 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 ethylidenepropanedioate?
The CAS number of Dioctyl ethylidenepropanedioate is 6328-26-3.
What is the molecular formula of Dioctyl ethylidenepropanedioate?
The molecular formula of Dioctyl ethylidenepropanedioate is C21H38O4.
What is the molecular weight of Dioctyl ethylidenepropanedioate?
The molecular weight of Dioctyl ethylidenepropanedioate is 354.28 g/mol.
Where can I buy Dioctyl ethylidenepropanedioate?
You can request a quote for Dioctyl ethylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctyl ethylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dioctyl ethylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.