C18H8F12O2S
TL;DR: C18H8F12O2S (CAS 70091-68-8) is a chemical compound with molecular formula C18H8F12O2S and molecular weight 516.01 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[2,1λ4-benzoxathiole]
Also Known As: J3.737.490C, 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1, 1,1'-Spirobi[3H-2,1-benzoxathiole], 3,3,3',3'-tetrakis(trifluoromethyl)-, 3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1lambda4-benzoxathiole], 3,3,3',3'-tetrakis(trifluoromethyl)-1lambda4-1,1'-spirobi[[2,1]benzoxathiole]
| Molecular Formula | C18H8F12O2S |
|---|---|
| Molecular Weight | 516.01 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 19.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 0 |
| Exact Mass | 516.0053 |
| Heavy Atoms | 33 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 70091-68-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | XYMMUNKFQZJVIG-UHFFFAOYSA-N |
Product Overview
C18H8F12O2S (CAS 70091-68-8), with molecular formula C18H8F12O2S and molecular weight 516.01 g/mol. IUPAC: 3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1λ4-benzoxathiole].
Chemical Property Profile of C18H8F12O2S
Property Insights of C18H8F12O2S
The XLogP value of 7.4 indicates that C18H8F12O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.5 Ų, C18H8F12O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H8F12O2S 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 C18H8F12O2S?
The CAS number of C18H8F12O2S is 70091-68-8.
What is the molecular formula of C18H8F12O2S?
The molecular formula of C18H8F12O2S is C18H8F12O2S.
What is the molecular weight of C18H8F12O2S?
The molecular weight of C18H8F12O2S is 516.01 g/mol.
Where can I buy C18H8F12O2S?
You can request a quote for C18H8F12O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H8F12O2S?
Yes, KEHONG BIO provides custom synthesis services for C18H8F12O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.