![3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] structure](/static/products/7009/70091-69-9.webp)
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
TL;DR: 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] (CAS 70091-69-9) is a chemical compound with molecular formula C18H8F12O2Si and molecular weight 512.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
Also Known As: NCI60_005612, NCI60_005613, 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole], J2.345.141G, 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxa
| Molecular Formula | C18H8F12O2Si |
|---|---|
| Molecular Weight | 512.01 g/mol |
| LogP | 4.9432 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 512.0102 |
| Heavy Atoms | 33 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 70091-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(O[Si]23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | QUVUAZRJSKDWIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] (CAS 70091-69-9), with molecular formula C18H8F12O2Si and molecular weight 512.01 g/mol. IUPAC: 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole].
Chemical Property Profile of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
Property Insights of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
The XLogP value of 4.9432 indicates that 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] 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 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]?
The CAS number of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] is 70091-69-9.
What is the molecular formula of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]?
The molecular formula of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] is C18H8F12O2Si.
What is the molecular weight of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]?
The molecular weight of 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] is 512.01 g/mol.
Where can I buy 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]?
You can request a quote for 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.