Gadopentetate dimeglumine polylysine
TL;DR: Gadopentetate dimeglumine polylysine (CAS 98808-82-3) is a chemical compound with molecular formula C26H48GdN7O14 and molecular weight 840.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;bis((2S)-2,6-diaminohexanoic acid);gadolinium(3+);hydron
Also Known As: Gadopentetate dimeglumine polylysine, gadolinium hydrogen 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate- l-lysine(1:2:1:2), 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; (2S)-2,6-diaminohexanoic acid; gadolinium(3+); hydron
| Molecular Formula | C26H48GdN7O14 |
|---|---|
| Molecular Weight | 840.25 g/mol |
| LogP | -10.0785 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Exact Mass | 840.25006 |
| Heavy Atoms | 48 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 98808-82-3 |
|---|---|
| SMILES | [H+].[H+].C(CCN)C[C@@H](C(=O)O)N.C(CCN)C[C@@H](C(=O)O)N.C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | DHOGWGAORJVNIT-HVCNBBNHSA-K |
Product Overview
Gadopentetate dimeglumine polylysine (CAS 98808-82-3), with molecular formula C26H48GdN7O14 and molecular weight 840.25 g/mol. IUPAC: 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;bis((2S)-2,6-diaminohexanoic acid);gadolinium(3+);hydron.
Chemical Property Profile of Gadopentetate dimeglumine polylysine
Property Insights of Gadopentetate dimeglumine polylysine
The XLogP value of -10.0785 indicates that Gadopentetate dimeglumine polylysine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Gadopentetate dimeglumine polylysine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadopentetate dimeglumine polylysine has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadopentetate dimeglumine polylysine?
The CAS number of Gadopentetate dimeglumine polylysine is 98808-82-3.
What is the molecular formula of Gadopentetate dimeglumine polylysine?
The molecular formula of Gadopentetate dimeglumine polylysine is C26H48GdN7O14.
What is the molecular weight of Gadopentetate dimeglumine polylysine?
The molecular weight of Gadopentetate dimeglumine polylysine is 840.25 g/mol.
Where can I buy Gadopentetate dimeglumine polylysine?
You can request a quote for Gadopentetate dimeglumine polylysine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadopentetate dimeglumine polylysine?
Yes, KEHONG BIO provides custom synthesis services for Gadopentetate dimeglumine polylysine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.