![1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene structure](/static/products/5157/51571-26-7.webp)
1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene
TL;DR: 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene (CAS 51571-26-7) is a chemical compound with molecular formula C11H7F6IO4 and molecular weight 443.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-methylphenyl)-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
Also Known As: 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene, 1-Bis(trifluoroacetoxy)iodo-4-methylbenzene, p-Tolylbis(trifluoroacetoxy) iodine(III), 4-[Bis(trifluoroacetoxy)iodo(III)]toluene, J2.226.597K
| Molecular Formula | C11H7F6IO4 |
|---|---|
| Molecular Weight | 443.93 g/mol |
| LogP | 3.71202 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.92932 |
| Heavy Atoms | 22 |
| Complexity | 523.1861 |
Chemical Identifiers
| CAS Number | 51571-26-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
Product Overview
1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene (CAS 51571-26-7), with molecular formula C11H7F6IO4 and molecular weight 443.93 g/mol. IUPAC: [(4-methylphenyl)-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate.
Chemical Property Profile of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene
Property Insights of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene
The XLogP value of 3.71202 indicates that 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene?
The CAS number of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene is 51571-26-7.
What is the molecular formula of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene?
The molecular formula of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene is C11H7F6IO4.
What is the molecular weight of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene?
The molecular weight of 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene is 443.93 g/mol.
Where can I buy 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene?
You can request a quote for 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[Bis(trifluoroacetoxy)iodo]-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.