Benzyl-edta
TL;DR: Benzyl-edta (CAS 106145-41-9) is a chemical compound with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-(carboxymethyl)amino]acetic acid
Also Known As: Benzyl edta, Benzyl-edta, N,N'-BIS(2-AMINOETHYL)-2-HEXYLPROPANEDIAMIDE, 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-(carboxymethyl)amino]acetic acid, 2,2',2'',2'''-[(3-Phenylpropane-1,2-diyl)dinitrilo]tetraacetic acid
| Molecular Formula | C17H22N2O8 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 382.1376 |
| Heavy Atoms | 27 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 106145-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| InChIKey | DTRVZAALOQTDSF-UHFFFAOYSA-N |
Product Overview
Benzyl-edta (CAS 106145-41-9), with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol. IUPAC: 2-[[2-[bis(carboxymethyl)amino]-3-phenylpropyl]-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of Benzyl-edta
Property Insights of Benzyl-edta
The XLogP value of -3.9 indicates that Benzyl-edta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Benzyl-edta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl-edta has 4 hydrogen bond donor(s) and 10 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 Benzyl-edta?
The CAS number of Benzyl-edta is 106145-41-9.
What is the molecular formula of Benzyl-edta?
The molecular formula of Benzyl-edta is C17H22N2O8.
What is the molecular weight of Benzyl-edta?
The molecular weight of Benzyl-edta is 382.14 g/mol.
Where can I buy Benzyl-edta?
You can request a quote for Benzyl-edta directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-edta?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-edta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.