10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda
TL;DR: 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda (CAS 80360-45-8) is a chemical compound with molecular formula C13H5F12IO2 and molecular weight 547.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2,2,6,6-tetrakis(trifluoromethyl)-4λ3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
Also Known As: 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda, 2H,6H-[1,2]Iodoxolo[4,5,1-hi][1,2]benziodoxole, 4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-, 4-Methyl-2,2,6,6-tetrakis(trifluoromethyl)-2H,6H-8lambda~3~-[1,2]iodoxolo[4,5,1-hi][1,2]benziodoxole, 4-Methyl-2,2,6,6-tetrakis(trifluoromethyl)-2H,6H-8lambda3-[1,2]iodoxolo[4,5,1-hi][1,2]benziodoxole, 9-Methyl-2,2,6,6-tetrakis(trifluoromethyl)-4lambda3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
| Molecular Formula | C13H5F12IO2 |
|---|---|
| Molecular Weight | 547.91 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 547.91425 |
| Heavy Atoms | 28 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 80360-45-8 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)C(OI3OC2(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | LBZUMXSYQCJWFY-UHFFFAOYSA-N |
Product Overview
10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda (CAS 80360-45-8), with molecular formula C13H5F12IO2 and molecular weight 547.91 g/mol. IUPAC: 9-methyl-2,2,6,6-tetrakis(trifluoromethyl)-4λ3-ioda-3,5-dioxatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.
Chemical Property Profile of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda
Property Insights of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda
The XLogP value of 6.4 indicates that 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda 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 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda?
The CAS number of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda is 80360-45-8.
What is the molecular formula of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda?
The molecular formula of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda is C13H5F12IO2.
What is the molecular weight of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda?
The molecular weight of 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda is 547.91 g/mol.
Where can I buy 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda?
You can request a quote for 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda?
Yes, KEHONG BIO provides custom synthesis services for 10-methyl-3,3,7,7-tetrakis(trifluoromethyl)-4,6-benzo-1-ioda and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.