4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
TL;DR: 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (CAS 91348-38-8) is a chemical compound with molecular formula C22H22F2N2O10 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid
Also Known As: 5F-Bapta, 5,5'-Fbapta, 4,4'-Fbapta, 5,5'-F2-Bapta, 1,2-Bis(2-amino-5-fluorophenoxyl)ethane-N,N,N',N'-tetraacetic acid
| Molecular Formula | C22H22F2N2O10 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 512.12427 |
| Heavy Atoms | 36 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 91348-38-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C(C=C2)F)N(CC(=O)O)CC(=O)O |
| InChIKey | VYGBXCPVENMZOX-UHFFFAOYSA-N |
Product Overview
4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (CAS 91348-38-8), with molecular formula C22H22F2N2O10 and molecular weight 512.12 g/mol. IUPAC: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid.
Chemical Property Profile of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
Property Insights of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid. The TPSA of 174.0 Ų indicates high polarity, suggesting 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid has 4 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 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid?
The CAS number of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid is 91348-38-8.
What is the molecular formula of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid?
The molecular formula of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid is C22H22F2N2O10.
What is the molecular weight of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid?
The molecular weight of 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid is 512.12 g/mol.
Where can I buy 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid?
You can request a quote for 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.