Meglumine Diatrizoate
TL;DR: Meglumine Diatrizoate (CAS 131-49-7) is a chemical compound with molecular formula C18H26I3N3O9 and molecular weight 808.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Meglumine diatrizoate, DIATRIZOATE MEGLUMINE, Cardiografin, Cystografin, Angiografin
| Molecular Formula | C18H26I3N3O9 |
|---|---|
| Molecular Weight | 808.88 g/mol |
| LogP | -0.24 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 808.8803 |
| Heavy Atoms | 33 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 131-49-7 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChIKey | MIKKOBKEXMRYFQ-WZTVWXICSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Meglumine Diatrizoate (CAS 131-49-7), with molecular formula C18H26I3N3O9 and molecular weight 808.88 g/mol. IUPAC: 3,5-diacetamido-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Meglumine Diatrizoate
Property Insights of Meglumine Diatrizoate
The XLogP value of -0.24 indicates that Meglumine Diatrizoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Meglumine Diatrizoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meglumine Diatrizoate has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Meglumine Diatrizoate?
The CAS number of Meglumine Diatrizoate is 131-49-7.
What is the molecular formula of Meglumine Diatrizoate?
The molecular formula of Meglumine Diatrizoate is C18H26I3N3O9.
What is the molecular weight of Meglumine Diatrizoate?
The molecular weight of Meglumine Diatrizoate is 808.88 g/mol.
Where can I buy Meglumine Diatrizoate?
You can request a quote for Meglumine Diatrizoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Meglumine Diatrizoate?
Yes, KEHONG BIO provides custom synthesis services for Meglumine Diatrizoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.