2-[2-[3,3-bis(trifluoromethyl)-1
TL;DR: 2-[2-[3,3-bis(trifluoromethyl)-1 (CAS 80559-53-1) is a chemical compound with molecular formula C34H44F12INO2 and molecular weight 853.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3,3-bis(trifluoromethyl)-1λ3,2-benziodoxol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;tetrabutylazanium
Also Known As: 2-[2-[3,3-bis(trifluoromethyl)-1, 2-[2-[3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxol-1-yl]phenyl, 1-Butanaminium, N,N,N-tributyl-, salt with 2-[3,3-bis(trifluoromethyl)-1,2-benziodoxol-1(3H)-yl]-.alpha.,.alpha.-bis(trifluoromethyl)benzenemethanol (1:1), 2-[2-[3,3-Bis(trifluoromethyl)-1lambda3,2-benziodoxol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;tetrabutylazanium, N,N,N-Tributyl-1-butanaminium 2-{2-[3,3-bis(trifluoromethyl)-1I>>3,2-benziodoxol-1(3H)-yl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanolate
| Molecular Formula | C34H44F12INO2 |
|---|---|
| Molecular Weight | 853.22 g/mol |
| LogP | 11.1813 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 853.22253 |
| Heavy Atoms | 50 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 80559-53-1 |
|---|---|
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C(OI2C3=CC=CC=C3C(C(F)(F)F)(C(F)(F)F)[O-])(C(F)(F)F)C(F)(F)F |
| InChIKey | UUGPNNFCJTWAGP-UHFFFAOYSA-N |
Product Overview
2-[2-[3,3-bis(trifluoromethyl)-1 (CAS 80559-53-1), with molecular formula C34H44F12INO2 and molecular weight 853.22 g/mol. IUPAC: 2-[2-[3,3-bis(trifluoromethyl)-1λ3,2-benziodoxol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;tetrabutylazanium.
Chemical Property Profile of 2-[2-[3,3-bis(trifluoromethyl)-1
Property Insights of 2-[2-[3,3-bis(trifluoromethyl)-1
The XLogP value of 11.1813 indicates that 2-[2-[3,3-bis(trifluoromethyl)-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 2-[2-[3,3-bis(trifluoromethyl)-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-[3,3-bis(trifluoromethyl)-1 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 2-[2-[3,3-bis(trifluoromethyl)-1?
The CAS number of 2-[2-[3,3-bis(trifluoromethyl)-1 is 80559-53-1.
What is the molecular formula of 2-[2-[3,3-bis(trifluoromethyl)-1?
The molecular formula of 2-[2-[3,3-bis(trifluoromethyl)-1 is C34H44F12INO2.
What is the molecular weight of 2-[2-[3,3-bis(trifluoromethyl)-1?
The molecular weight of 2-[2-[3,3-bis(trifluoromethyl)-1 is 853.22 g/mol.
Where can I buy 2-[2-[3,3-bis(trifluoromethyl)-1?
You can request a quote for 2-[2-[3,3-bis(trifluoromethyl)-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[3,3-bis(trifluoromethyl)-1?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[3,3-bis(trifluoromethyl)-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.