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 480.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H6F14O4 |
|---|---|
| Molecular Weight | 480.00 g/mol |
| LogP | 4.2948 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.00424 |
| Heavy Atoms | 30 |
| Complexity | 604.8141 |
Chemical Identifiers
| CAS Number | 1211982-48-7 |
|---|---|
| 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 |
Product Overview
Bis(1H,1H-perfluorobutyl)fumarate (CAS 1211982-48-7), with molecular formula C12H6F14O4 and molecular weight 480.00 g/mol. IUPAC: bis(2,2,3,3,4,4,4-heptafluorobutyl) (E)-but-2-enedioate.
Chemical Property Profile of Bis(1H,1H-perfluorobutyl)fumarate
Property Insights of Bis(1H,1H-perfluorobutyl)fumarate
The XLogP value of 4.2948 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 480.00 g/mol.
Where can I buy Bis(1H,1H-perfluorobutyl)fumarate?
You can request a quote for Bis(1H,1H-perfluorobutyl)fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1H,1H-perfluorobutyl)fumarate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1H,1H-perfluorobutyl)fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.