1-Bromoperfluoro-2,5,8-trioxanonane
TL;DR: 1-Bromoperfluoro-2,5,8-trioxanonane (CAS 330562-45-3) is a chemical compound with molecular formula C6BrF13O3 and molecular weight 445.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
Also Known As: 1-Bromoperfluoro-2,5,8-trioxanonane, C6BrF13O3, Perfluoro-2,5,8-trioxanonyl bromide, 1-bromo-perfluoro-2,5,8-trioxanonane, (1-Bromo)perfluoro-2,5,8-trioxanonane
| Molecular Formula | C6BrF13O3 |
|---|---|
| Molecular Weight | 445.88 g/mol |
| LogP | 4.8724 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.88232 |
| Heavy Atoms | 23 |
| Complexity | 374.91336 |
Chemical Identifiers
| CAS Number | 330562-45-3 |
|---|---|
| SMILES | C(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)Br)(F)F)(F)F)(F)F |
Product Overview
1-Bromoperfluoro-2,5,8-trioxanonane (CAS 330562-45-3), with molecular formula C6BrF13O3 and molecular weight 445.88 g/mol. IUPAC: 1-[2-[bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane.
Chemical Property Profile of 1-Bromoperfluoro-2,5,8-trioxanonane
Property Insights of 1-Bromoperfluoro-2,5,8-trioxanonane
The XLogP value of 4.8724 indicates that 1-Bromoperfluoro-2,5,8-trioxanonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.69 Ų, 1-Bromoperfluoro-2,5,8-trioxanonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromoperfluoro-2,5,8-trioxanonane has 0 hydrogen bond donor(s) and 3 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 1-Bromoperfluoro-2,5,8-trioxanonane?
The CAS number of 1-Bromoperfluoro-2,5,8-trioxanonane is 330562-45-3.
What is the molecular formula of 1-Bromoperfluoro-2,5,8-trioxanonane?
The molecular formula of 1-Bromoperfluoro-2,5,8-trioxanonane is C6BrF13O3.
What is the molecular weight of 1-Bromoperfluoro-2,5,8-trioxanonane?
The molecular weight of 1-Bromoperfluoro-2,5,8-trioxanonane is 445.88 g/mol.
Where can I buy 1-Bromoperfluoro-2,5,8-trioxanonane?
You can request a quote for 1-Bromoperfluoro-2,5,8-trioxanonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromoperfluoro-2,5,8-trioxanonane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromoperfluoro-2,5,8-trioxanonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.