Diallyl fumarate
TL;DR: Diallyl fumarate (CAS 118569-89-4) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(prop-2-enyl) (E)-but-2-enedioate
Also Known As: Diallyl fumarate, Diallyl maleate, diallylfumarate, diallyl malleate, Fumaric acid, diallyl ester
Technical Specifications
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.07356 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 196.07356 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | C=CCOC(=O)/C=C/C(=O)OCC=C |
| InChIKey | ZPOLOEWJWXZUSP-AATRIKPKSA-N |
Chemical Property Profile of Diallyl fumarate
Property Insights of Diallyl fumarate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl fumarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl fumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl fumarate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diallyl fumarate?
The CAS number of Diallyl fumarate is 118569-89-4.
What is the molecular formula of Diallyl fumarate?
The molecular formula of Diallyl fumarate is C10H12O4.
What is the molecular weight of Diallyl fumarate?
The molecular weight of Diallyl fumarate is 196.07356 g/mol.
Where can I buy Diallyl fumarate?
You can request a quote for Diallyl fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diallyl fumarate?
Yes, CoreyChem provides custom synthesis services for Diallyl fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.