6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine
TL;DR: 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine (CAS 84649-62-7) is a chemical compound with molecular formula C16H18F6OS and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine
Also Known As: 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine, 4H-3,1-Benzoxathiin, 6-(1,1-dimethylethyl)-2,2-dimethyl-4,4-bis(trifluoromethyl)-, 6-tert-Butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-2H,4H-3,1-benzoxathiine
| Molecular Formula | C16H18F6OS |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.09827 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 84649-62-7 |
|---|---|
| SMILES | CC1(OC(C2=C(S1)C=CC(=C2)C(C)(C)C)(C(F)(F)F)C(F)(F)F)C |
| InChIKey | QBKBPIUCZFMAFY-UHFFFAOYSA-N |
Product Overview
6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine (CAS 84649-62-7), with molecular formula C16H18F6OS and molecular weight 372.10 g/mol. IUPAC: 6-tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine.
Chemical Property Profile of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine
Property Insights of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine
The XLogP value of 6.3 indicates that 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine?
The CAS number of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine is 84649-62-7.
What is the molecular formula of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine?
The molecular formula of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine is C16H18F6OS.
What is the molecular weight of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine?
The molecular weight of 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine is 372.10 g/mol.
Where can I buy 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine?
You can request a quote for 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-2,2-dimethyl-4,4-bis(trifluoromethyl)-3,1-benzoxathiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.