Iobitridol
TL;DR: Iobitridol (CAS 136949-58-1) is a chemical compound with molecular formula C20H28I3N3O9 and molecular weight 834.896 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-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Also Known As: Iobitridol, Xenetix, Optiject, iobitridolum, Iobitrol
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H28I3N3O9 |
| Molecular Weight | 834.896 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 834.896 Da |
| Heavy Atoms | 35 |
| Complexity | 675.0 |
| SMILES | CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C(CO)CO)I)C(=O)N(C)CC(CO)O)I |
| InChIKey | YLPBXIKWXNRACS-UHFFFAOYSA-N |
Chemical Property Profile of Iobitridol
Property Insights of Iobitridol
The XLogP value of -3.0 indicates that Iobitridol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Iobitridol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iobitridol has 7 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 Iobitridol?
The CAS number of Iobitridol is 136949-58-1.
What is the molecular formula of Iobitridol?
The molecular formula of Iobitridol is C20H28I3N3O9.
What is the molecular weight of Iobitridol?
The molecular weight of Iobitridol is 834.896 g/mol.
Where can I buy Iobitridol?
You can request a quote for Iobitridol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iobitridol?
Yes, CoreyChem provides custom synthesis services for Iobitridol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.