4-Iodophenylboronic acid
TL;DR: 4-Iodophenylboronic acid (CAS 3900-89-8) is a chemical compound with molecular formula C6H6BIO2 and molecular weight 247.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-iodophenyl)boronic acid
Also Known As: 4-Iodophenylboronic acid, (4-iodophenyl)boronic acid, 4-Iodobenzeneboronic acid, null, p-iodophenylboronic acid
| Molecular Formula | C6H6BIO2 |
|---|---|
| Molecular Weight | 247.95 g/mol |
| LogP | -0.029 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.95056 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 3900-89-8 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)I)(O)O |
| InChIKey | PELJYVULHLKXFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodophenylboronic acid (CAS 3900-89-8), with molecular formula C6H6BIO2 and molecular weight 247.95 g/mol. IUPAC: (4-iodophenyl)boronic acid.
Chemical Property Profile of 4-Iodophenylboronic acid
Property Insights of 4-Iodophenylboronic acid
The XLogP value of -0.029 indicates that 4-Iodophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Iodophenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodophenylboronic acid has 2 hydrogen bond donor(s) and 2 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-Iodophenylboronic acid?
The CAS number of 4-Iodophenylboronic acid is 3900-89-8.
What is the molecular formula of 4-Iodophenylboronic acid?
The molecular formula of 4-Iodophenylboronic acid is C6H6BIO2.
What is the molecular weight of 4-Iodophenylboronic acid?
The molecular weight of 4-Iodophenylboronic acid is 247.95 g/mol.
Where can I buy 4-Iodophenylboronic acid?
You can request a quote for 4-Iodophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.