DOTA
TL;DR: DOTA (CAS 60239-18-1) is a chemical compound with molecular formula C16H28N4O8 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DOTA
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: DOTA, Tetraxetan, Dota acid, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, tetraxetanum
| Molecular Formula | C16H28N4O8 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | -10.6 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.1907 |
| Heavy Atoms | 28 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 60239-18-1 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | WDLRUFUQRNWCPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DOTA (CAS 60239-18-1), with molecular formula C16H28N4O8 and molecular weight 404.19 g/mol. IUPAC: 2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
Chemical Property Profile of DOTA
Property Insights of DOTA
The XLogP value of -10.6 indicates that DOTA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting DOTA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DOTA has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DOTA?
The CAS number of DOTA is 60239-18-1.
What is the molecular formula of DOTA?
The molecular formula of DOTA is C16H28N4O8.
What is the molecular weight of DOTA?
The molecular weight of DOTA is 404.19 g/mol.
Where can I buy DOTA?
You can request a quote for DOTA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DOTA?
Yes, KEHONG BIO provides custom synthesis services for DOTA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.