Thulium edetate
TL;DR: Thulium edetate (CAS 63869-91-0) is a chemical compound with molecular formula C10H13N2O8Tm and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;thulium(3+)
Also Known As: Thulium edetate, Thulate(1-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-), hydrogen, 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; hydron; thulium(3+), Thulate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, hydrogen, (OC-6-21)-, RefChem:385589
| Molecular Formula | C10H13N2O8Tm |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | -7.2975 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.0014 |
| Heavy Atoms | 21 |
| Complexity | 327.1228 |
Chemical Identifiers
| CAS Number | 63869-91-0 |
|---|---|
| SMILES | [H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Tm+3] |
Product Overview
Thulium edetate (CAS 63869-91-0), with molecular formula C10H13N2O8Tm and molecular weight 458.00 g/mol. IUPAC: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;thulium(3+).
Chemical Property Profile of Thulium edetate
Property Insights of Thulium edetate
The XLogP value of -7.2975 indicates that Thulium edetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Thulium edetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thulium edetate has 0 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 Thulium edetate?
The CAS number of Thulium edetate is 63869-91-0.
What is the molecular formula of Thulium edetate?
The molecular formula of Thulium edetate is C10H13N2O8Tm.
What is the molecular weight of Thulium edetate?
The molecular weight of Thulium edetate is 458.00 g/mol.
Where can I buy Thulium edetate?
You can request a quote for Thulium edetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thulium edetate?
Yes, KEHONG BIO provides custom synthesis services for Thulium edetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.