Iodecimol
TL;DR: Iodecimol (CAS 81045-33-2) is a chemical compound with molecular formula C35H44I6N6O16 and molecular weight 1565.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: Iodecimol, Iodecol, Iodecimol [INN], Indecimol, Iodecimol [INN-Latin]
| Molecular Formula | C35H44I6N6O16 |
|---|---|
| Molecular Weight | 1565.71 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 359.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 1565.7083 |
| Heavy Atoms | 63 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 81045-33-2 |
|---|---|
| SMILES | C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)CC(=O)N(CCO)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I |
| InChIKey | RHISTIGVAKTTCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodecimol (CAS 81045-33-2), with molecular formula C35H44I6N6O16 and molecular weight 1565.71 g/mol. IUPAC: 5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of Iodecimol
Property Insights of Iodecimol
The XLogP value of -3.1 indicates that Iodecimol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting Iodecimol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iodecimol has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodecimol?
The CAS number of Iodecimol is 81045-33-2.
What is the molecular formula of Iodecimol?
The molecular formula of Iodecimol is C35H44I6N6O16.
What is the molecular weight of Iodecimol?
The molecular weight of Iodecimol is 1565.71 g/mol.
Where can I buy Iodecimol?
You can request a quote for Iodecimol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodecimol?
Yes, KEHONG BIO provides custom synthesis services for Iodecimol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.