4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
TL;DR: 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid (CAS 130707-75-4) is a chemical compound with molecular formula C24H37N5O8 and molecular weight 523.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid
Also Known As: PA-Dota, alpha-(2-(4-Aminophenyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid, 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid, 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, alpha-(2-(4-aminophenyl)ethyl)-
| Molecular Formula | C24H37N5O8 |
|---|---|
| Molecular Weight | 523.26 g/mol |
| LogP | -8.9 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 523.2642 |
| Heavy Atoms | 37 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 130707-75-4 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CCC2=CC=C(C=C2)N)C(=O)O)CC(=O)O |
| InChIKey | HQHVHMQCHASIHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid (CAS 130707-75-4), with molecular formula C24H37N5O8 and molecular weight 523.26 g/mol. IUPAC: 4-(4-aminophenyl)-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoic acid.
Chemical Property Profile of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
Property Insights of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
The XLogP value of -8.9 indicates that 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid?
The CAS number of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid is 130707-75-4.
What is the molecular formula of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid?
The molecular formula of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid is C24H37N5O8.
What is the molecular weight of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid?
The molecular weight of 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid is 523.26 g/mol.
Where can I buy 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid?
You can request a quote for 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.