5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
TL;DR: 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) (CAS 85120-53-2) is a chemical compound with molecular formula C20H20N2O10 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid
Also Known As: 5-Carboxy-eddha, EDDCHA, J1.769.812E, 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid), Ethylenebisiminobis(5-carboxy-2-hydroxyphenylacetic acid)
| Molecular Formula | C20H20N2O10 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 0.625 |
| Topological Polar Surface Area | 213.72 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.1118 |
| Heavy Atoms | 32 |
| Complexity | 969.17114 |
Chemical Identifiers
| CAS Number | 85120-53-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C(C(=O)O)NCCNC(C2=C(C=CC(=C2)C(=O)O)O)C(=O)O)O |
Product Overview
5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) (CAS 85120-53-2), with molecular formula C20H20N2O10 and molecular weight 448.11 g/mol. IUPAC: 3-[carboxy-[2-[[carboxy-(5-carboxy-2-hydroxyphenyl)methyl]amino]ethylamino]methyl]-4-hydroxybenzoic acid.
Chemical Property Profile of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
Property Insights of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)
The XLogP value of 0.625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid). The TPSA of 213.72 Ų indicates high polarity, suggesting 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)?
The CAS number of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) is 85120-53-2.
What is the molecular formula of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)?
The molecular formula of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) is C20H20N2O10.
What is the molecular weight of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)?
The molecular weight of 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) is 448.11 g/mol.
Where can I buy 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)?
You can request a quote for 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid)?
Yes, KEHONG BIO provides custom synthesis services for 5-Carboxyethylenediamine-N,N'-bis(2-hydroxyphenylacetic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.