Iofratol
TL;DR: Iofratol (CAS 141660-63-1) is a chemical compound with molecular formula C31H36I6N6O13 and molecular weight 1461.6609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-N-(1,3-dihydroxypropan-2-yl)-1-N-[3-[[3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-[[(2R)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: Iofratol, 3-N-(1,3-dihydroxypropan-2-yl)-1-N-[3-[[3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-[[(2R)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide, n-(1,3-dihydroxypropan-2-yl)-n'-{3-[(3-[(1,3-dihydroxypropan-2-yl)carbamoyl]-5-{[(2s)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzoyl)amino]-2-hydroxypropyl}-5-{[(2r)-2-hydroxypropanoyl]amino}-2,4,6-triiodobenzene-1,3-dicarboxamide, N~1~-(1,3-Dihydroxypropan-2-yl)-N~3~-(3-{3-[(1,3-dihydroxypropan-2-yl)carbamoyl]-5-[(2R)-2-hydroxypropanamido]-2,4,6-triiodobenzamido}-2-hydroxypropyl)-5-[(2S)-2-hydroxypropanamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C31H36I6N6O13 |
| Molecular Weight | 1461.6609 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 316.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 18 |
| Exact Mass | 1461.6609 Da |
| Heavy Atoms | 56 |
| Complexity | 1280.0 |
| SMILES | C[C@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NCC(CNC(=O)C2=C(C(=C(C(=C2I)NC(=O)[C@H](C)O)I)C(=O)NC(CO)CO)I)O)I)O |
| InChIKey | NNZBBKHCMKTQJQ-HWYHXSKPSA-N |
Chemical Property Profile of Iofratol
Property Insights of Iofratol
The XLogP value of -1.9 indicates that Iofratol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 316.0 Ų indicates high polarity, suggesting Iofratol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iofratol has 13 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Iofratol?
The CAS number of Iofratol is 141660-63-1.
What is the molecular formula of Iofratol?
The molecular formula of Iofratol is C31H36I6N6O13.
What is the molecular weight of Iofratol?
The molecular weight of Iofratol is 1461.6609 g/mol.
Where can I buy Iofratol?
You can request a quote for Iofratol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iofratol?
Yes, CoreyChem provides custom synthesis services for Iofratol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.