![1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- structure](/static/products/6935/69352-06-3.webp)
1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-
TL;DR: 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- (CAS 69352-06-3) is a chemical compound with molecular formula C19H11F12IO2 and molecular weight 625.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-5-methyl-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole
Also Known As: 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-, 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-5-methyl-3,3-bis(trifluoromethyl)-1, 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-(2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy)-, 1,3-Dihydro-5-methyl-1-(1-phenyl-1-(trifluoromethyl)-2,2,2-trifluoroethoxy)-3,3-bis(trifluoromethyl))-1,2-benziodoxole, 1,3-Dihydro-5-methyl-1-[1-phenyl-1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-3,3-bis(trifluoromethyl)-1,2-benziodoxole
| Molecular Formula | C19H11F12IO2 |
|---|---|
| Molecular Weight | 625.96 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 625.96124 |
| Heavy Atoms | 34 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 69352-06-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)I(OC2(C(F)(F)F)C(F)(F)F)OC(C3=CC=CC=C3)(C(F)(F)F)C(F)(F)F |
| InChIKey | DUUFXDAMBGNFIR-UHFFFAOYSA-N |
Product Overview
1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- (CAS 69352-06-3), with molecular formula C19H11F12IO2 and molecular weight 625.96 g/mol. IUPAC: 1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy-5-methyl-3,3-bis(trifluoromethyl)-1λ3,2-benziodoxole.
Chemical Property Profile of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-
Property Insights of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-
The XLogP value of 8.3 indicates that 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-?
The CAS number of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- is 69352-06-3.
What is the molecular formula of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-?
The molecular formula of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- is C19H11F12IO2.
What is the molecular weight of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-?
The molecular weight of 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- is 625.96 g/mol.
Where can I buy 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-?
You can request a quote for 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benziodoxole, 1,3-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1-[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.