Ioversol
TL;DR: Ioversol (CAS 87771-40-2) is a chemical compound with molecular formula C18H24I3N3O9 and molecular weight 806.8647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: ioversol, Optiray, Ioversolum, Optiray 320, ioversolo
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24I3N3O9 |
| Molecular Weight | 806.8647 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 806.8647 Da |
| Heavy Atoms | 33 |
| Complexity | 623.0 |
| Melting Point | 180-182°C |
| Solubility | Water soluble |
| SMILES | C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO |
| InChIKey | AMDBBAQNWSUWGN-UHFFFAOYSA-N |
Product Description
Applications: Ioversol is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ioversol (CAS 87771-40-2) is a pharmaceutical intermediate with the molecular formula C18H24I3N3O9 and a molecular weight of 806.86 g/mol. Key physical properties include a solubility: Water soluble. Synonyms include ioversol and Optiray.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ioversol
Property Insights of Ioversol
The XLogP value of -3.0 indicates that Ioversol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Ioversol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ioversol has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ioversol?
The CAS number of Ioversol is 87771-40-2.
What is the molecular formula of Ioversol?
The molecular formula of Ioversol is C18H24I3N3O9.
What is the molecular weight of Ioversol?
The molecular weight of Ioversol is 806.8647 g/mol.
What are the applications of Ioversol?
Ioversol is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Ioversol?
You can request a quote for Ioversol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ioversol?
Yes, CoreyChem provides custom synthesis services for Ioversol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.