Iotroxic Acid
TL;DR: Iotroxic Acid (CAS 51022-74-3) is a chemical compound with molecular formula C22H18I6N2O9 and molecular weight 1215.5281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
Also Known As: iotroxic acid, Biliscopin, Acido iotroxico, Acide iotroxique, Acidum iotroxicum
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H18I6N2O9 |
| Molecular Weight | 1215.5281 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 1215.5281 Da |
| Heavy Atoms | 39 |
| Complexity | 793.0 |
| SMILES | C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I |
| InChIKey | JXMIBUGMYLQZGO-UHFFFAOYSA-N |
Chemical Property Profile of Iotroxic Acid
Property Insights of Iotroxic Acid
The XLogP value of 4.5 indicates that Iotroxic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting Iotroxic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iotroxic Acid has 4 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 Iotroxic Acid?
The CAS number of Iotroxic Acid is 51022-74-3.
What is the molecular formula of Iotroxic Acid?
The molecular formula of Iotroxic Acid is C22H18I6N2O9.
What is the molecular weight of Iotroxic Acid?
The molecular weight of Iotroxic Acid is 1215.5281 g/mol.
Where can I buy Iotroxic Acid?
You can request a quote for Iotroxic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iotroxic Acid?
Yes, CoreyChem provides custom synthesis services for Iotroxic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.