1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1
TL;DR: 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 (CAS 80540-69-8) is a chemical compound with molecular formula C18H8BrF12IO2 and molecular weight 689.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1λ5,2-benziodoxole]
Also Known As: 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1, 1-Bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1lambda5,2-benziodoxole], Iodine, bis[.alpha.,.alpha.-bis(trifluoromethyl)benzenemethanolato(2-)-C2,O.alpha.]bromo-, 1-Bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,3'-dihydro-3H-1lambda~5~-1,1'-spirobi[[1,2]benziodoxole]
| Molecular Formula | C18H8BrF12IO2 |
|---|---|
| Molecular Weight | 689.86 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 689.8561 |
| Heavy Atoms | 34 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 80540-69-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OI23(C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)Br)(C(F)(F)F)C(F)(F)F |
| InChIKey | GUMLMRULKKERHZ-UHFFFAOYSA-N |
Product Overview
1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 (CAS 80540-69-8), with molecular formula C18H8BrF12IO2 and molecular weight 689.86 g/mol. IUPAC: 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1λ5,2-benziodoxole].
Chemical Property Profile of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1
Property Insights of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1
The XLogP value of 8.8 indicates that 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1?
The CAS number of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 is 80540-69-8.
What is the molecular formula of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1?
The molecular formula of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 is C18H8BrF12IO2.
What is the molecular weight of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1?
The molecular weight of 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 is 689.86 g/mol.
Where can I buy 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1?
You can request a quote for 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1?
Yes, KEHONG BIO provides custom synthesis services for 1-bromo-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.