2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1
TL;DR: 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 (CAS 84649-60-5) is a chemical compound with molecular formula C16H12F12O4S and molecular weight 528.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1λ6-benzoxathiol-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Also Known As: 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1, 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1lambda6-ben, 1,1,1,3,3,3-Hexafluoro-2-[5-(2-methyl-2-propanyl)-1,1-dioxido-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiol-7-yl]-2-propanol, 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1$l^{6}-benzoxathiol-7-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol, 2-[5-Tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1lambda6-benzoxathiol-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
| Molecular Formula | C16H12F12O4S |
|---|---|
| Molecular Weight | 528.03 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 528.0265 |
| Heavy Atoms | 33 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 84649-60-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)OC2(C(F)(F)F)C(F)(F)F |
| InChIKey | MLZNDSXDGKJYNE-UHFFFAOYSA-N |
Product Overview
2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 (CAS 84649-60-5), with molecular formula C16H12F12O4S and molecular weight 528.03 g/mol. IUPAC: 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1λ6-benzoxathiol-7-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
Chemical Property Profile of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1
Property Insights of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1
The XLogP value of 5.7 indicates that 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1. Following Lipinski's Rule of Five, 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1?
The CAS number of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 is 84649-60-5.
What is the molecular formula of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1?
The molecular formula of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 is C16H12F12O4S.
What is the molecular weight of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1?
The molecular weight of 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 is 528.03 g/mol.
Where can I buy 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1?
You can request a quote for 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-tert-butyl-1,1-dioxo-3,3-bis(trifluoromethyl)-2,1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.