3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1
TL;DR: 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 (CAS 75194-66-0) is a chemical compound with molecular formula C18H8F12O3S and molecular weight 532.00 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[2,1λ6-benzoxathiole] 1-oxide
Also Known As: 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1, 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda6-benzo, 1,1'-Spirobi[3H-2,1-benzoxathiole], 3,3,3',3'-tetrakis(trifluoromethyl)-, 1-oxide, 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda6-benzoxathiole] 1-oxide, 3,3,3',3'-Tetrakis(trifluoromethyl)-3H,3'H-1,1'-spirobi[[2,1]benzoxathiole] 1-oxide
| Molecular Formula | C18H8F12O3S |
|---|---|
| Molecular Weight | 532.00 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 36.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 0 |
| Exact Mass | 532.00024 |
| Heavy Atoms | 34 |
| Complexity | 802.0 |
Chemical Identifiers
| CAS Number | 75194-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS23(=O)C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | MTMDVLJSPKCRBL-UHFFFAOYSA-N |
Product Overview
3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 (CAS 75194-66-0), with molecular formula C18H8F12O3S and molecular weight 532.00 g/mol. IUPAC: 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1λ6-benzoxathiole] 1-oxide.
Chemical Property Profile of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1
Property Insights of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1
The XLogP value of 6.9 indicates that 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.5 Ų, 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 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 has 0 hydrogen bond donor(s) and 15 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?
The CAS number of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 is 75194-66-0.
What is the molecular formula of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1?
The molecular formula of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 is C18H8F12O3S.
What is the molecular weight of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1?
The molecular weight of 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 is 532.00 g/mol.
Where can I buy 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1?
You can request a quote for 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 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?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.