Docosyl hydrogen fumarate
TL;DR: Docosyl hydrogen fumarate (CAS 45302-46-3) 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.
(E)-4-docosoxy-4-oxobut-2-enoic acid
Also Known As: Docosyl hydrogen fumarate, docosylhydrogenfumarate, Docosyl (2E)-2-butenedioate, EINECS 256-228-8, (E)-4-docosoxy-4-oxobut-2-enoic acid
| Molecular Formula | C26H48O4 |
|---|---|
| Molecular Weight | 424.36 g/mol |
| LogP | 7.9923 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 424.35526 |
| Heavy Atoms | 30 |
| Complexity | 417.25665 |
Chemical Identifiers
| CAS Number | 45302-46-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)O |
Product Overview
Docosyl hydrogen fumarate (CAS 45302-46-3), with molecular formula C26H48O4 and molecular weight 424.36 g/mol. IUPAC: (E)-4-docosoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of Docosyl hydrogen fumarate
Property Insights of Docosyl hydrogen fumarate
The XLogP value of 7.9923 indicates that Docosyl hydrogen fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Docosyl hydrogen fumarate. Following Lipinski's Rule of Five, Docosyl hydrogen fumarate has 1 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 Docosyl hydrogen fumarate?
The CAS number of Docosyl hydrogen fumarate is 45302-46-3.
What is the molecular formula of Docosyl hydrogen fumarate?
The molecular formula of Docosyl hydrogen fumarate is C26H48O4.
What is the molecular weight of Docosyl hydrogen fumarate?
The molecular weight of Docosyl hydrogen fumarate is 424.36 g/mol.
Where can I buy Docosyl hydrogen fumarate?
You can request a quote for Docosyl hydrogen fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosyl hydrogen fumarate?
Yes, KEHONG BIO provides custom synthesis services for Docosyl hydrogen fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.