Iosimide
TL;DR: Iosimide (CAS 79211-10-2) is a chemical compound with molecular formula C21H30I3N3O9 and molecular weight 848.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide
Also Known As: IOSIMIDE, Univist, Iosimida, Iosimidum, iosimid
| Molecular Formula | C21H30I3N3O9 |
|---|---|
| Molecular Weight | 848.91 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 848.9116 |
| Heavy Atoms | 36 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 79211-10-2 |
|---|---|
| SMILES | C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I |
| InChIKey | KZYHGCLDUQBASN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iosimide (CAS 79211-10-2), with molecular formula C21H30I3N3O9 and molecular weight 848.91 g/mol. IUPAC: 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide.
Chemical Property Profile of Iosimide
Property Insights of Iosimide
The XLogP value of -1.9 indicates that Iosimide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Iosimide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iosimide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iosimide?
The CAS number of Iosimide is 79211-10-2.
What is the molecular formula of Iosimide?
The molecular formula of Iosimide is C21H30I3N3O9.
What is the molecular weight of Iosimide?
The molecular weight of Iosimide is 848.91 g/mol.
Where can I buy Iosimide?
You can request a quote for Iosimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iosimide?
Yes, KEHONG BIO provides custom synthesis services for Iosimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.