2-Octadecylfumaric acid
TL;DR: 2-Octadecylfumaric acid (CAS 1280776-39-7) is a chemical compound with molecular formula C22H40O4 and molecular weight 368.29266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-octadecylbut-2-enedioic acid
Also Known As: 2-Octadecylfumaric acid, 2-octadecylfumaricacid, octadecyl fumaric acid, EINECS 303-760-4, (E)-2-octadecylbut-2-enedioic acid
Technical Specifications
| Molecular Formula | C22H40O4 |
| Molecular Weight | 368.29266 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 368.29266 Da |
| Heavy Atoms | 26 |
| Complexity | 388.0 |
| SMILES | CCCCCCCCCCCCCCCCCC/C(=C\C(=O)O)/C(=O)O |
| InChIKey | DORSXXCBNVVKKP-FMQUCBEESA-N |
Chemical Property Profile of 2-Octadecylfumaric acid
Property Insights of 2-Octadecylfumaric acid
The XLogP value of 9.0 indicates that 2-Octadecylfumaric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octadecylfumaric acid. Following Lipinski's Rule of Five, 2-Octadecylfumaric acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Octadecylfumaric acid?
The CAS number of 2-Octadecylfumaric acid is 1280776-39-7.
What is the molecular formula of 2-Octadecylfumaric acid?
The molecular formula of 2-Octadecylfumaric acid is C22H40O4.
What is the molecular weight of 2-Octadecylfumaric acid?
The molecular weight of 2-Octadecylfumaric acid is 368.29266 g/mol.
Where can I buy 2-Octadecylfumaric acid?
You can request a quote for 2-Octadecylfumaric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Octadecylfumaric acid?
Yes, CoreyChem provides custom synthesis services for 2-Octadecylfumaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.