Gadobutrol Impurity 145
TL;DR: Gadobutrol Impurity 145 (CAS 128139-51-5) is a chemical compound with molecular formula C12H21N3O8 and molecular weight 335.13287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
Also Known As: Gadobutrol Impurity 145, 3476AD, 2,2'-((2-((Carboxymethyl)(2-((carboxymethyl)amino)-ethyl)amino)ethyl)azanediyl)diacetic acid, 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid, 2,2'-((2-((Carboxymethyl)(2-((carboxymethyl)amino)ethyl)amino)ethyl)azanediyl)diacetic acid
Technical Specifications
| Molecular Formula | C12H21N3O8 |
| Molecular Weight | 335.13287 g/mol |
| XLogP | -8.6 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 335.13287 Da |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
| SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)NCC(=O)O |
| InChIKey | SLIOGOFAZDOJQA-UHFFFAOYSA-N |
Chemical Property Profile of Gadobutrol Impurity 145
Property Insights of Gadobutrol Impurity 145
The XLogP value of -8.6 indicates that Gadobutrol Impurity 145 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Gadobutrol Impurity 145 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadobutrol Impurity 145 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gadobutrol Impurity 145?
The CAS number of Gadobutrol Impurity 145 is 128139-51-5.
What is the molecular formula of Gadobutrol Impurity 145?
The molecular formula of Gadobutrol Impurity 145 is C12H21N3O8.
What is the molecular weight of Gadobutrol Impurity 145?
The molecular weight of Gadobutrol Impurity 145 is 335.13287 g/mol.
Where can I buy Gadobutrol Impurity 145?
You can request a quote for Gadobutrol Impurity 145 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadobutrol Impurity 145?
Yes, CoreyChem provides custom synthesis services for Gadobutrol Impurity 145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.