1-(4-aminobenzyl)-DTPA
TL;DR: 1-(4-aminobenzyl)-DTPA (CAS 133097-22-0) is a chemical compound with molecular formula C21H34Cl4N4O10 and molecular weight 642.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;tetrahydrochloride
Also Known As: 1-(4-Aminobenzyl)-DTPA, 1-(p-Aminobenzyl)-DTPA, 3,4,5-Trimethoxyphenyl magnesium bromide, (+-)-N-(3-(4-Aminophenyl)-2-(bis(carboxymethyl)amino)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycine tetrahydrochloride, 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid tetrahydrochloride
| Molecular Formula | C21H34Cl4N4O10 |
|---|---|
| Molecular Weight | 642.10 g/mol |
| LogP | 0.1961 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 642.1029 |
| Heavy Atoms | 39 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 133097-22-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N.Cl.Cl.Cl.Cl |
| InChIKey | HMLLWYKKTNEVCG-UHFFFAOYSA-N |
Product Overview
1-(4-aminobenzyl)-DTPA (CAS 133097-22-0), with molecular formula C21H34Cl4N4O10 and molecular weight 642.10 g/mol. IUPAC: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;tetrahydrochloride.
Chemical Property Profile of 1-(4-aminobenzyl)-DTPA
Property Insights of 1-(4-aminobenzyl)-DTPA
The XLogP value of 0.1961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-aminobenzyl)-DTPA. The TPSA of 222.0 Ų indicates high polarity, suggesting 1-(4-aminobenzyl)-DTPA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-aminobenzyl)-DTPA has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-aminobenzyl)-DTPA?
The CAS number of 1-(4-aminobenzyl)-DTPA is 133097-22-0.
What is the molecular formula of 1-(4-aminobenzyl)-DTPA?
The molecular formula of 1-(4-aminobenzyl)-DTPA is C21H34Cl4N4O10.
What is the molecular weight of 1-(4-aminobenzyl)-DTPA?
The molecular weight of 1-(4-aminobenzyl)-DTPA is 642.10 g/mol.
Where can I buy 1-(4-aminobenzyl)-DTPA?
You can request a quote for 1-(4-aminobenzyl)-DTPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-aminobenzyl)-DTPA?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-aminobenzyl)-DTPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.