Di-N-desethylamiodarone
TL;DR: Di-N-desethylamiodarone (CAS 99848-17-6) is a chemical compound with molecular formula C21H21I2NO3 and molecular weight 588.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone
Also Known As: Di-N-desethylamiodarone, DDEA, methanone, Di-N-desethyl Amiodarone, Desdiethylamiodarone
| Molecular Formula | C21H21I2NO3 |
|---|---|
| Molecular Weight | 588.96 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.96106 |
| Heavy Atoms | 27 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 99848-17-6 |
|---|---|
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN)I |
| InChIKey | ZOCLVGHDXBVATF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-N-desethylamiodarone (CAS 99848-17-6), with molecular formula C21H21I2NO3 and molecular weight 588.96 g/mol. IUPAC: [4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone.
Chemical Property Profile of Di-N-desethylamiodarone
Property Insights of Di-N-desethylamiodarone
The XLogP value of 5.9 indicates that Di-N-desethylamiodarone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-N-desethylamiodarone. Following Lipinski's Rule of Five, Di-N-desethylamiodarone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-N-desethylamiodarone?
The CAS number of Di-N-desethylamiodarone is 99848-17-6.
What is the molecular formula of Di-N-desethylamiodarone?
The molecular formula of Di-N-desethylamiodarone is C21H21I2NO3.
What is the molecular weight of Di-N-desethylamiodarone?
The molecular weight of Di-N-desethylamiodarone is 588.96 g/mol.
Where can I buy Di-N-desethylamiodarone?
You can request a quote for Di-N-desethylamiodarone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-N-desethylamiodarone?
Yes, KEHONG BIO provides custom synthesis services for Di-N-desethylamiodarone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.