Pentasodium Pentetate
TL;DR: Pentasodium Pentetate (CAS 140-01-2) is a chemical compound with molecular formula C14H18N3Na5O10 and molecular weight 503.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Also Known As: Pentasodium DTPA, Tetralon B, Plexene D, Syntron C, Trilon C
| Molecular Formula | C14H18N3Na5O10 |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | -24.34 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 503.04807 |
| Heavy Atoms | 32 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 140-01-2 |
|---|---|
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | LQPLDXQVILYOOL-UHFFFAOYSA-I |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentasodium Pentetate (CAS 140-01-2), with molecular formula C14H18N3Na5O10 and molecular weight 503.05 g/mol. IUPAC: pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate.
Chemical Property Profile of Pentasodium Pentetate
Property Insights of Pentasodium Pentetate
The XLogP value of -24.34 indicates that Pentasodium Pentetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting Pentasodium Pentetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentasodium Pentetate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentasodium Pentetate?
The CAS number of Pentasodium Pentetate is 140-01-2.
What is the molecular formula of Pentasodium Pentetate?
The molecular formula of Pentasodium Pentetate is C14H18N3Na5O10.
What is the molecular weight of Pentasodium Pentetate?
The molecular weight of Pentasodium Pentetate is 503.05 g/mol.
Where can I buy Pentasodium Pentetate?
You can request a quote for Pentasodium Pentetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentasodium Pentetate?
Yes, KEHONG BIO provides custom synthesis services for Pentasodium Pentetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.