Bis(perfluorooctyl)itaconate
TL;DR: Bis(perfluorooctyl)itaconate (CAS 49676-56-4) is a chemical compound with molecular formula C21H4F34O4 and molecular weight 965.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) 2-methylidenebutanedioate
Also Known As: Bis(perfluorooctyl)itaconate, Bis(heptadecafluorooctyl) 2-methylidenebutanedioate, 1,4-diheptadecafluorooctyl 2-methylidenebutanedioate, Bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) 2-methylidenebutanedioate, 2,3-DIMETHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE-5-CARBOXYLICACID
| Molecular Formula | C21H4F34O4 |
|---|---|
| Molecular Weight | 965.96 g/mol |
| LogP | 10.9529 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 965.95667 |
| Heavy Atoms | 59 |
| Complexity | 1594.5093 |
Chemical Identifiers
| CAS Number | 49676-56-4 |
|---|---|
| SMILES | C=C(CC(=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
Bis(perfluorooctyl)itaconate (CAS 49676-56-4), with molecular formula C21H4F34O4 and molecular weight 965.96 g/mol. IUPAC: bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) 2-methylidenebutanedioate.
Chemical Property Profile of Bis(perfluorooctyl)itaconate
Property Insights of Bis(perfluorooctyl)itaconate
The XLogP value of 10.9529 indicates that Bis(perfluorooctyl)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(perfluorooctyl)itaconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(perfluorooctyl)itaconate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(perfluorooctyl)itaconate?
The CAS number of Bis(perfluorooctyl)itaconate is 49676-56-4.
What is the molecular formula of Bis(perfluorooctyl)itaconate?
The molecular formula of Bis(perfluorooctyl)itaconate is C21H4F34O4.
What is the molecular weight of Bis(perfluorooctyl)itaconate?
The molecular weight of Bis(perfluorooctyl)itaconate is 965.96 g/mol.
Where can I buy Bis(perfluorooctyl)itaconate?
You can request a quote for Bis(perfluorooctyl)itaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(perfluorooctyl)itaconate?
Yes, KEHONG BIO provides custom synthesis services for Bis(perfluorooctyl)itaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.