2-Bromo-1-iodo-4-(trifluoromethoxy)benzene
TL;DR: 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene (CAS 168971-68-4) is a chemical compound with molecular formula C7H3BrF3IO and molecular weight 365.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-iodo-4-(trifluoromethoxy)benzene
Also Known As: 2-bromo-1-iodo-4-(trifluoromethoxy)benzene, 2-Bromo-4-(trifluoromethoxy)iodobenzene, 2-bromo-4-trifluoromethoxy-1-iodobenzene, 3-bromo-4-iodo-1-(trifluoromethoxy)benzene, 1-Bromo-2-iodo-5-(trifluoromethoxy)benzene
| Molecular Formula | C7H3BrF3IO |
|---|---|
| Molecular Weight | 365.84 g/mol |
| LogP | 3.9523 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.8364 |
| Heavy Atoms | 13 |
| Complexity | 313.09622 |
Chemical Identifiers
| CAS Number | 168971-68-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)Br)I |
Product Overview
2-Bromo-1-iodo-4-(trifluoromethoxy)benzene (CAS 168971-68-4), with molecular formula C7H3BrF3IO and molecular weight 365.84 g/mol. IUPAC: 2-bromo-1-iodo-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene
Property Insights of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene
The XLogP value of 3.9523 indicates that 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene 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-Bromo-1-iodo-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene 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-Bromo-1-iodo-4-(trifluoromethoxy)benzene?
The CAS number of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene is 168971-68-4.
What is the molecular formula of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene?
The molecular formula of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene is C7H3BrF3IO.
What is the molecular weight of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene?
The molecular weight of 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene is 365.84 g/mol.
Where can I buy 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene?
You can request a quote for 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-iodo-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.