Iopentol
TL;DR: Iopentol (CAS 89797-00-2) is a chemical compound with molecular formula C20H28I3N3O9 and molecular weight 834.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: IOPENTOL, Imagopaque, Iopentolum, iopentolol, Iopentolum [Latin]
| Molecular Formula | C20H28I3N3O9 |
|---|---|
| Molecular Weight | 834.90 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 834.896 |
| Heavy Atoms | 35 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 89797-00-2 |
|---|---|
| SMILES | CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChIKey | IUNJANQVIJDFTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iopentol (CAS 89797-00-2), with molecular formula C20H28I3N3O9 and molecular weight 834.90 g/mol. IUPAC: 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of Iopentol
Property Insights of Iopentol
The XLogP value of -2.5 indicates that Iopentol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Iopentol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iopentol has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iopentol?
The CAS number of Iopentol is 89797-00-2.
What is the molecular formula of Iopentol?
The molecular formula of Iopentol is C20H28I3N3O9.
What is the molecular weight of Iopentol?
The molecular weight of Iopentol is 834.90 g/mol.
Where can I buy Iopentol?
You can request a quote for Iopentol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iopentol?
Yes, KEHONG BIO provides custom synthesis services for Iopentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.