2-Methyl-4-(trifluoromethoxy)iodobenzene
TL;DR: 2-Methyl-4-(trifluoromethoxy)iodobenzene (CAS 886763-05-9) is a chemical compound with molecular formula C8H6F3IO and molecular weight 301.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-2-methyl-4-(trifluoromethoxy)benzene
Also Known As: 1-iodo-2-methyl-4-(trifluoromethoxy)benzene, 2-Methyl-4-(trifluoromethoxy)iodobenzene, 2-Iodo-5-(trifluoromethoxy)toluene, 4-Iodo-3-methylphenyl trifluoromethyl ether, 2-METHYL-4-(TRIFLUOROMETHOXY) IODOBENZENE
| Molecular Formula | C8H6F3IO |
|---|---|
| Molecular Weight | 301.94 g/mol |
| LogP | 3.49822 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.94156 |
| Heavy Atoms | 13 |
| Complexity | 308.7477 |
Chemical Identifiers
| CAS Number | 886763-05-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(F)(F)F)I |
Product Overview
2-Methyl-4-(trifluoromethoxy)iodobenzene (CAS 886763-05-9), with molecular formula C8H6F3IO and molecular weight 301.94 g/mol. IUPAC: 1-iodo-2-methyl-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 2-Methyl-4-(trifluoromethoxy)iodobenzene
Property Insights of 2-Methyl-4-(trifluoromethoxy)iodobenzene
The XLogP value of 3.49822 indicates that 2-Methyl-4-(trifluoromethoxy)iodobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Methyl-4-(trifluoromethoxy)iodobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-(trifluoromethoxy)iodobenzene has 0 hydrogen bond donor(s) and 1 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 2-Methyl-4-(trifluoromethoxy)iodobenzene?
The CAS number of 2-Methyl-4-(trifluoromethoxy)iodobenzene is 886763-05-9.
What is the molecular formula of 2-Methyl-4-(trifluoromethoxy)iodobenzene?
The molecular formula of 2-Methyl-4-(trifluoromethoxy)iodobenzene is C8H6F3IO.
What is the molecular weight of 2-Methyl-4-(trifluoromethoxy)iodobenzene?
The molecular weight of 2-Methyl-4-(trifluoromethoxy)iodobenzene is 301.94 g/mol.
Where can I buy 2-Methyl-4-(trifluoromethoxy)iodobenzene?
You can request a quote for 2-Methyl-4-(trifluoromethoxy)iodobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-(trifluoromethoxy)iodobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-(trifluoromethoxy)iodobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.