Meglumine gadobenate
TL;DR: Meglumine gadobenate (CAS 127000-20-8) is a chemical compound with molecular formula C36H62GdN5O21 and molecular weight 1058.3179 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+);hydron;bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
Also Known As: Multihance, Gadobenate dimeglumine, Titanium carbide, Multihance (TN), Meglumine gadobenate
Technical Specifications
| Molecular Formula | C36H62GdN5O21 |
| Molecular Weight | 1058.3179 g/mol |
| XLogP | -14.2643 |
| Topological Polar Surface Area (TPSA) | 446.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Exact Mass | 1058.3179 Da |
| Heavy Atoms | 63 |
| Complexity | 833.0 |
| SMILES | [H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | OCDAWJYGVOLXGZ-VPVMAENOSA-K |
Chemical Property Profile of Meglumine gadobenate
Property Insights of Meglumine gadobenate
The XLogP value of -14.2643 indicates that Meglumine gadobenate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.0 Ų indicates high polarity, suggesting Meglumine gadobenate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Meglumine gadobenate has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Meglumine gadobenate?
The CAS number of Meglumine gadobenate is 127000-20-8.
What is the molecular formula of Meglumine gadobenate?
The molecular formula of Meglumine gadobenate is C36H62GdN5O21.
What is the molecular weight of Meglumine gadobenate?
The molecular weight of Meglumine gadobenate is 1058.3179 g/mol.
Where can I buy Meglumine gadobenate?
You can request a quote for Meglumine gadobenate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Meglumine gadobenate?
Yes, CoreyChem provides custom synthesis services for Meglumine gadobenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.