1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
TL;DR: 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester (CAS 139890-68-9) is a chemical compound with molecular formula C25H28N2O12 and molecular weight 548.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[[2-(acetyloxymethoxy)-2-oxoethyl]-(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid
Also Known As: BAPTA-AM, 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester, Butanoic acid,2-chloro-,methyl ester, 2-[2-[2-[2-[[2-(acetyloxymethoxy)-2-oxoethyl]-(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid, 1,2-Bis(o-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
| Molecular Formula | C25H28N2O12 |
|---|---|
| Molecular Weight | 548.16 g/mol |
| LogP | 1.0748 |
| Topological Polar Surface Area | 189.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 548.16425 |
| Heavy Atoms | 39 |
| Complexity | 1153.247 |
Chemical Identifiers
| CAS Number | 139890-68-9 |
|---|---|
| SMILES | CC(=O)OCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O |
Product Overview
1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester (CAS 139890-68-9), with molecular formula C25H28N2O12 and molecular weight 548.16 g/mol. IUPAC: 2-[2-[2-[2-[[2-(acetyloxymethoxy)-2-oxoethyl]-(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid.
Chemical Property Profile of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
Property Insights of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
The XLogP value of 1.0748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester. The TPSA of 189.44 Ų indicates high polarity, suggesting 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester has 3 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 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester?
The CAS number of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester is 139890-68-9.
What is the molecular formula of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester?
The molecular formula of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester is C25H28N2O12.
What is the molecular weight of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester?
The molecular weight of 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester is 548.16 g/mol.
Where can I buy 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester?
You can request a quote for 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.