1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid
TL;DR: 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid (CAS 112193-75-6) is a chemical compound with molecular formula C12H24N4O4 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, DO2A cpd, Gadobutrol Impurity N5, Gadobutrol Impurity 38, Gadoteridol Impurity 15
| Molecular Formula | C12H24N4O4 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | -6.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.17975 |
| Heavy Atoms | 20 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 112193-75-6 |
|---|---|
| SMILES | C1CN(CCNCCN(CCN1)CC(=O)O)CC(=O)O |
| InChIKey | SPSJFVXUOKRIGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid (CAS 112193-75-6), with molecular formula C12H24N4O4 and molecular weight 288.18 g/mol. IUPAC: 2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
Chemical Property Profile of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid
Property Insights of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid
The XLogP value of -6.2 indicates that 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid. Following Lipinski's Rule of Five, 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid has 4 hydrogen bond donor(s) and 8 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 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid?
The CAS number of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid is 112193-75-6.
What is the molecular formula of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid?
The molecular formula of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid is C12H24N4O4.
What is the molecular weight of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid?
The molecular weight of 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid is 288.18 g/mol.
Where can I buy 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid?
You can request a quote for 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.