2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid
TL;DR: 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid (CAS 2122-72-7) is a chemical compound with molecular formula C12H20N2O8 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(carboxymethyl)amino]butyl-(carboxymethyl)amino]acetic acid
Also Known As: Butanediamine tetraacetic acid, butanediyldiimino-tetra-acetic acid, tetramethylenediamine tetraacetic acid, tetramethylenedinitrilotetraacetic acid, 1,4-Butanediylbisnitrilotetraacetic acid
| Molecular Formula | C12H20N2O8 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 320.12198 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 2122-72-7 |
|---|---|
| SMILES | C(CCN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O |
| InChIKey | ZIMXAFGAUMQPMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid (CAS 2122-72-7), with molecular formula C12H20N2O8 and molecular weight 320.12 g/mol. IUPAC: 2-[4-[bis(carboxymethyl)amino]butyl-(carboxymethyl)amino]acetic acid.
Chemical Property Profile of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid
Property Insights of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid
The XLogP value of -5.2 indicates that 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid 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 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid?
The CAS number of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid is 2122-72-7.
What is the molecular formula of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid?
The molecular formula of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid is C12H20N2O8.
What is the molecular weight of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid?
The molecular weight of 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid is 320.12 g/mol.
Where can I buy 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid?
You can request a quote for 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.