Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)
TL;DR: Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) (CAS 51445-03-5) is a chemical compound with molecular formula C12F23NO3 and molecular weight 642.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanenitrile
Also Known As: Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide), 2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy)propanenitrile #, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanenitrile
| Molecular Formula | C12F23NO3 |
|---|---|
| Molecular Weight | 642.95 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 9 |
| Exact Mass | 642.9511 |
| Heavy Atoms | 39 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 51445-03-5 |
|---|---|
| SMILES | C(#N)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F |
| InChIKey | MSQJVDPDELVRSC-UHFFFAOYSA-N |
Product Overview
Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) (CAS 51445-03-5), with molecular formula C12F23NO3 and molecular weight 642.95 g/mol. IUPAC: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanenitrile.
Chemical Property Profile of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)
Property Insights of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)
The XLogP value of 7.9 indicates that Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) has 0 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)?
The CAS number of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) is 51445-03-5.
What is the molecular formula of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)?
The molecular formula of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) is C12F23NO3.
What is the molecular weight of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)?
The molecular weight of Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) is 642.95 g/mol.
Where can I buy Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)?
You can request a quote for Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide)?
Yes, KEHONG BIO provides custom synthesis services for Perfluoro-(1,4,7-trimethyl-2,5,8-trioxa-undecyl cyanide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.