Bis(hexafluoroisopropyl)itaconate
TL;DR: Bis(hexafluoroisopropyl)itaconate (CAS 98452-82-5) is a chemical compound with molecular formula C11H6F12O4 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-methylidenebutanedioate
Also Known As: Bis(hexafluoroisopropyl)itaconate, Hexamethyleneoxide, BIS ITACONATE, bis-Hexafluoro-2-propylitaconate, bis-(Hexafluoroisopropyl)itaconate
| Molecular Formula | C11H6F12O4 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 4.0055 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.00745 |
| Heavy Atoms | 27 |
| Complexity | 539.85693 |
Chemical Identifiers
| CAS Number | 98452-82-5 |
|---|---|
| SMILES | C=C(CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F |
Product Overview
Bis(hexafluoroisopropyl)itaconate (CAS 98452-82-5), with molecular formula C11H6F12O4 and molecular weight 430.01 g/mol. IUPAC: bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-methylidenebutanedioate.
Chemical Property Profile of Bis(hexafluoroisopropyl)itaconate
Property Insights of Bis(hexafluoroisopropyl)itaconate
The XLogP value of 4.0055 indicates that Bis(hexafluoroisopropyl)itaconate 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(hexafluoroisopropyl)itaconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(hexafluoroisopropyl)itaconate 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(hexafluoroisopropyl)itaconate?
The CAS number of Bis(hexafluoroisopropyl)itaconate is 98452-82-5.
What is the molecular formula of Bis(hexafluoroisopropyl)itaconate?
The molecular formula of Bis(hexafluoroisopropyl)itaconate is C11H6F12O4.
What is the molecular weight of Bis(hexafluoroisopropyl)itaconate?
The molecular weight of Bis(hexafluoroisopropyl)itaconate is 430.01 g/mol.
Where can I buy Bis(hexafluoroisopropyl)itaconate?
You can request a quote for Bis(hexafluoroisopropyl)itaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(hexafluoroisopropyl)itaconate?
Yes, KEHONG BIO provides custom synthesis services for Bis(hexafluoroisopropyl)itaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.