Pentetate
TL;DR: Pentetate (CAS 80529-93-7) is a chemical compound with molecular formula C14H20N3O10-3 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate
Also Known As: pentetate(3-), Pentetate, H2dtpa, Gadopentetic acid, H2dtpa(3-)
| Molecular Formula | C14H20N3O10-3 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | -6.6887 |
| Topological Polar Surface Area | 204.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 390.11487 |
| Heavy Atoms | 27 |
| Complexity | 481.26123 |
Chemical Identifiers
| CAS Number | 80529-93-7 |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-] |
Product Overview
Pentetate (CAS 80529-93-7), with molecular formula C14H20N3O10-3 and molecular weight 390.11 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate.
Chemical Property Profile of Pentetate
Property Insights of Pentetate
The XLogP value of -6.6887 indicates that Pentetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.71 Ų indicates high polarity, suggesting Pentetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentetate has 2 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 Pentetate?
The CAS number of Pentetate is 80529-93-7.
What is the molecular formula of Pentetate?
The molecular formula of Pentetate is C14H20N3O10-3.
What is the molecular weight of Pentetate?
The molecular weight of Pentetate is 390.11 g/mol.
Where can I buy Pentetate?
You can request a quote for Pentetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentetate?
Yes, KEHONG BIO provides custom synthesis services for Pentetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.