![Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate structure](/static/products/5692/56927-83-4.webp)
Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate
TL;DR: Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate (CAS 56927-83-4) is a chemical compound with molecular formula C26H22F26O4S2 and molecular weight 956.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] (E)-but-2-enedioate
Also Known As: bis[3- propyl]fumarate, Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate, 5805AE, Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl] fumarate, bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] (E)-but-2-enedioate
| Molecular Formula | C26H22F26O4S2 |
|---|---|
| Molecular Weight | 956.05 g/mol |
| LogP | 11.1334 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 956.05444 |
| Heavy Atoms | 58 |
| Complexity | 1289.7396 |
Chemical Identifiers
| CAS Number | 56927-83-4 |
|---|---|
| SMILES | C(COC(=O)/C=C/C(=O)OCCCSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate (CAS 56927-83-4), with molecular formula C26H22F26O4S2 and molecular weight 956.05 g/mol. IUPAC: bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] (E)-but-2-enedioate.
Chemical Property Profile of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate
Property Insights of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate
The XLogP value of 11.1334 indicates that Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]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[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate?
The CAS number of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate is 56927-83-4.
What is the molecular formula of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate?
The molecular formula of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate is C26H22F26O4S2.
What is the molecular weight of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate?
The molecular weight of Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate is 956.05 g/mol.
Where can I buy Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate?
You can request a quote for Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate?
Yes, KEHONG BIO provides custom synthesis services for Bis[3-(1H,1H,2H,2H-perfluorooctylthio)propyl]fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.