Fumaric acid, diundecyl ester
TL;DR: Fumaric acid, diundecyl ester (CAS 94451-54-4) is a chemical compound with molecular formula C26H48O4 and molecular weight 424.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diundecyl (E)-but-2-enedioate
Also Known As: Di-undecyl fumarate, Fumaric acid diundecyl ester, Fumaric acid, diundecyl ester, diundecyl (E)-but-2-enedioate, 1,4-diundecyl (2E)-but-2-enedioate
| Molecular Formula | C26H48O4 |
|---|---|
| Molecular Weight | 424.36 g/mol |
| LogP | 7.6906 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 424.35526 |
| Heavy Atoms | 30 |
| Complexity | 379.25665 |
Chemical Identifiers
| CAS Number | 94451-54-4 |
|---|---|
| SMILES | CCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCC |
Product Overview
Fumaric acid, diundecyl ester (CAS 94451-54-4), with molecular formula C26H48O4 and molecular weight 424.36 g/mol. IUPAC: diundecyl (E)-but-2-enedioate.
Chemical Property Profile of Fumaric acid, diundecyl ester
Property Insights of Fumaric acid, diundecyl ester
The XLogP value of 7.6906 indicates that Fumaric acid, diundecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Fumaric acid, diundecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fumaric acid, diundecyl ester 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 Fumaric acid, diundecyl ester?
The CAS number of Fumaric acid, diundecyl ester is 94451-54-4.
What is the molecular formula of Fumaric acid, diundecyl ester?
The molecular formula of Fumaric acid, diundecyl ester is C26H48O4.
What is the molecular weight of Fumaric acid, diundecyl ester?
The molecular weight of Fumaric acid, diundecyl ester is 424.36 g/mol.
Where can I buy Fumaric acid, diundecyl ester?
You can request a quote for Fumaric acid, diundecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaric acid, diundecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Fumaric acid, diundecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.