Aminobenzyl-EDTA
TL;DR: Aminobenzyl-EDTA (CAS 9003-80-9) is a chemical compound with molecular formula C17H23N3O8 and molecular weight 397.15 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]-(carboxymethyl)amino]acetic acid
Also Known As: Aminobenzyl-edta, 2-(2-Quinolyl)malondialdehyde, 1-(4-Aminobenzyl)ethylenediamine-N,N,N',N'-tetraacetic acid, Aminobenzyl-EDTA, >=90% (CHN), J1.818.844I
| Molecular Formula | C17H23N3O8 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 397.14853 |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 9003-80-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N |
| InChIKey | RPBJIOJIMOUOIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminobenzyl-EDTA (CAS 9003-80-9), with molecular formula C17H23N3O8 and molecular weight 397.15 g/mol. IUPAC: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Aminobenzyl-EDTA
Property Insights of Aminobenzyl-EDTA
The XLogP value of -4.5 indicates that Aminobenzyl-EDTA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Aminobenzyl-EDTA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aminobenzyl-EDTA has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aminobenzyl-EDTA?
The CAS number of Aminobenzyl-EDTA is 9003-80-9.
What is the molecular formula of Aminobenzyl-EDTA?
The molecular formula of Aminobenzyl-EDTA is C17H23N3O8.
What is the molecular weight of Aminobenzyl-EDTA?
The molecular weight of Aminobenzyl-EDTA is 397.15 g/mol.
Where can I buy Aminobenzyl-EDTA?
You can request a quote for Aminobenzyl-EDTA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminobenzyl-EDTA?
Yes, KEHONG BIO provides custom synthesis services for Aminobenzyl-EDTA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.