![2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol structure](/static/products/846/84649-63-8.png)
2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
TL;DR: 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 84649-63-8) is a chemical compound with molecular formula C19H18F12O2S and molecular weight 538.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Also Known As: 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol, 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-be, 2-[6-tert-Butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-2H,4H-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol, 4H-3,1-Benzoxathiin-8-methanol, 6-(1,1-dimethylethyl)-2,2-dimethyl-.alpha.,.alpha.,4,4-tetrakis(trifluoromethyl)-
| Molecular Formula | C19H18F12O2S |
|---|---|
| Molecular Weight | 538.08 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 2 |
| Exact Mass | 538.0836 |
| Heavy Atoms | 34 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 84649-63-8 |
|---|---|
| SMILES | CC1(OC(C2=C(S1)C(=CC(=C2)C(C)(C)C)C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F)C |
| InChIKey | HVUKONQLPAUQRK-UHFFFAOYSA-N |
Product Overview
2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CAS 84649-63-8), with molecular formula C19H18F12O2S and molecular weight 538.08 g/mol. IUPAC: 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
Chemical Property Profile of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Property Insights of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
The XLogP value of 7.5 indicates that 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has 1 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 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The CAS number of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is 84649-63-8.
What is the molecular formula of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The molecular formula of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C19H18F12O2S.
What is the molecular weight of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The molecular weight of 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is 538.08 g/mol.
Where can I buy 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
You can request a quote for 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.