4-Fluoro-3-iodotoluene
TL;DR: 4-Fluoro-3-iodotoluene (CAS 452-82-4) is a chemical compound with molecular formula C7H6FI and molecular weight 235.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-iodo-4-methylbenzene
Also Known As: 4-Fluoro-3-iodotoluene, 1-fluoro-2-iodo-4-methylbenzene, 3-iodo-4-fluorotoluene, 4-Fluor-3-jodtoluol, 1-fluoro-2-iodo-4-methyl-benzene
| Molecular Formula | C7H6FI |
|---|---|
| Molecular Weight | 235.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.94983 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 452-82-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)I |
| InChIKey | XJWZEEGCMBQBNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-3-iodotoluene (CAS 452-82-4), with molecular formula C7H6FI and molecular weight 235.95 g/mol. IUPAC: 1-fluoro-2-iodo-4-methylbenzene.
Chemical Property Profile of 4-Fluoro-3-iodotoluene
Property Insights of 4-Fluoro-3-iodotoluene
The XLogP value of 3.0 indicates that 4-Fluoro-3-iodotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Fluoro-3-iodotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-3-iodotoluene 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 4-Fluoro-3-iodotoluene?
The CAS number of 4-Fluoro-3-iodotoluene is 452-82-4.
What is the molecular formula of 4-Fluoro-3-iodotoluene?
The molecular formula of 4-Fluoro-3-iodotoluene is C7H6FI.
What is the molecular weight of 4-Fluoro-3-iodotoluene?
The molecular weight of 4-Fluoro-3-iodotoluene is 235.95 g/mol.
Where can I buy 4-Fluoro-3-iodotoluene?
You can request a quote for 4-Fluoro-3-iodotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-iodotoluene?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-iodotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.