(2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone
TL;DR: (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone (CAS 1951-26-4) is a chemical compound with molecular formula C19H16I2O3 and molecular weight 545.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
Also Known As: Amiodarone EP Impurity D, 2-butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran, Amiodarone impurity D, O-Desalkylamiodarone, benzofuran derivative
| Molecular Formula | C19H16I2O3 |
|---|---|
| Molecular Weight | 545.92 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.9189 |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 1951-26-4 |
|---|---|
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I |
| InChIKey | PNFMEGSMKIHDFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone (CAS 1951-26-4), with molecular formula C19H16I2O3 and molecular weight 545.92 g/mol. IUPAC: (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone.
Chemical Property Profile of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone
Property Insights of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone
The XLogP value of 6.5 indicates that (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone?
The CAS number of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone is 1951-26-4.
What is the molecular formula of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone?
The molecular formula of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone is C19H16I2O3.
What is the molecular weight of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone?
The molecular weight of (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone is 545.92 g/mol.
Where can I buy (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone?
You can request a quote for (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone?
Yes, KEHONG BIO provides custom synthesis services for (2-Butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.