Iohexol
TL;DR: Iohexol (CAS 66108-95-0) is a chemical compound with molecular formula C19H26I3N3O9 and molecular weight 820.8803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: iohexol, Omnipaque, Exypaque, Nycodenz, Iohexolum
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H26I3N3O9 |
| Molecular Weight | 820.8803 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 | 820.8803 Da |
| Heavy Atoms | 34 |
| Complexity | 653.0 |
| Melting Point | 174-180 °C |
| SMILES | CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChIKey | NTHXOOBQLCIOLC-UHFFFAOYSA-N |
Chemical Property Profile of Iohexol
Property Insights of Iohexol
The XLogP value of -3.0 indicates that Iohexol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Iohexol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iohexol 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 Iohexol?
The CAS number of Iohexol is 66108-95-0.
What is the molecular formula of Iohexol?
The molecular formula of Iohexol is C19H26I3N3O9.
What is the molecular weight of Iohexol?
The molecular weight of Iohexol is 820.8803 g/mol.
Where can I buy Iohexol?
You can request a quote for Iohexol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iohexol?
Yes, CoreyChem provides custom synthesis services for Iohexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.