1-溴-4-碘苯
TL;DR: 1-溴-4-碘苯 (CAS 589-87-7) is a chemical compound with molecular formula C6H4BrI and molecular weight 281.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-溴-4-碘苯
1-bromo-4-iodobenzene
Also Known As: 1-Bromo-4-iodobenzene, 4-BROMOIODOBENZENE, p-Bromoiodobenzene, p-Iodobromobenzene, Benzene, 1-bromo-4-iodo-
| Molecular Formula | C6H4BrI |
|---|---|
| Molecular Weight | 281.85 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.8541 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 589-87-7 |
|---|---|
| SMILES | C1=CC(=CC=C1Br)I |
| InChIKey | UCCUXODGPMAHRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-溴-4-碘苯 (CAS 589-87-7), with molecular formula C6H4BrI and molecular weight 281.85 g/mol. IUPAC: 1-bromo-4-iodobenzene.
Chemical Property Profile of 1-溴-4-碘苯
Property Insights of 1-溴-4-碘苯
The XLogP value of 4.0 indicates that 1-溴-4-碘苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-溴-4-碘苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-溴-4-碘苯 has 0 hydrogen bond donor(s) and 0 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-溴-4-碘苯?
The CAS number of 1-溴-4-碘苯 is 589-87-7.
What is the molecular formula of 1-溴-4-碘苯?
The molecular formula of 1-溴-4-碘苯 is C6H4BrI.
What is the molecular weight of 1-溴-4-碘苯?
The molecular weight of 1-溴-4-碘苯 is 281.85 g/mol.
Where can I buy 1-溴-4-碘苯?
You can request a quote for 1-溴-4-碘苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-溴-4-碘苯?
Yes, KEHONG BIO provides custom synthesis services for 1-溴-4-碘苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.