Bis(1H,1H-perfluorobutyl)fumarate
TL;DR: Bis(1H,1H-perfluorobutyl)fumarate (CAS 1211982-48-7) is a chemical compound with molecular formula C12H6F14O4 and molecular weight 480.00424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2,2,3,3,4,4,4-heptafluorobutyl) (E)-but-2-enedioate
Also Known As: Bis(1H,1H-perfluorobutyl)fumarate, Bis(1H,1H-heptafluorobutyl) fumarate, bis-(1H,1H-Perfluorobutyl)fumarate, 8136AD, Bis(1,1-dihydroperfluorobutyl) fumarate
Technical Specifications
| Molecular Formula | C12H6F14O4 |
| Molecular Weight | 480.00424 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.00424 Da |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)/C=C/C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | WVGOKTYQAQEHBO-OWOJBTEDSA-N |
Chemical Property Profile of Bis(1H,1H-perfluorobutyl)fumarate
Property Insights of Bis(1H,1H-perfluorobutyl)fumarate
The XLogP value of 5.1 indicates that Bis(1H,1H-perfluorobutyl)fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(1H,1H-perfluorobutyl)fumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1H,1H-perfluorobutyl)fumarate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bis(1H,1H-perfluorobutyl)fumarate?
The CAS number of Bis(1H,1H-perfluorobutyl)fumarate is 1211982-48-7.
What is the molecular formula of Bis(1H,1H-perfluorobutyl)fumarate?
The molecular formula of Bis(1H,1H-perfluorobutyl)fumarate is C12H6F14O4.
What is the molecular weight of Bis(1H,1H-perfluorobutyl)fumarate?
The molecular weight of Bis(1H,1H-perfluorobutyl)fumarate is 480.00424 g/mol.
Where can I buy Bis(1H,1H-perfluorobutyl)fumarate?
You can request a quote for Bis(1H,1H-perfluorobutyl)fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(1H,1H-perfluorobutyl)fumarate?
Yes, CoreyChem provides custom synthesis services for Bis(1H,1H-perfluorobutyl)fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.