![13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid structure](/static/products/229/229312-33-8.png)
13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid
TL;DR: 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid (CAS 229312-33-8) is a chemical compound with molecular formula C13H22N4O5 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl]acetic acid
Also Known As: Gadoteridol Impurity 1, Gadoteridol Impurity E, Gadoteridol Impurity 6, starbld0010782, 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid
| Molecular Formula | C13H22N4O5 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | -1.4892 |
| Topological Polar Surface Area | 104.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.15903 |
| Heavy Atoms | 22 |
| Complexity | 406.1464 |
Chemical Identifiers
| CAS Number | 229312-33-8 |
|---|---|
| SMILES | C1CN(CCN2CCN(C2=O)CCN1CC(=O)O)CC(=O)O |
Product Overview
13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid (CAS 229312-33-8), with molecular formula C13H22N4O5 and molecular weight 314.16 g/mol. IUPAC: 2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl]acetic acid.
Chemical Property Profile of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid
Property Insights of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid
The XLogP value of -1.4892 indicates that 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid. Following Lipinski's Rule of Five, 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid?
The CAS number of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid is 229312-33-8.
What is the molecular formula of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid?
The molecular formula of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid is C13H22N4O5.
What is the molecular weight of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid?
The molecular weight of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid is 314.16 g/mol.
Where can I buy 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid?
You can request a quote for 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.