RefChem:898419
TL;DR: RefChem:898419 (CAS 68631-27-6) is a chemical compound with molecular formula C20H50N2O12Ti and molecular weight 558.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-[bis(2-hydroxyethyl)amino]ethanol);bis(2-(2-hydroxyethoxy)ethanol);titanium
Also Known As: Bis(2-(2-hydroxyethoxy)ethoxy) bis(N,N-bis(2-hydroxyethyl)-2-aminoethoxy)titanium, Titanium, bis((2,2',2''-nitrilotris(ethanolato))(1-)-N,O)bis((2,2'-oxybis(ethanolato))(1-)-O1)-, Titanium, bis(2-(bis(2-hydroxyethyl)amino-kappaN)ethanolato-kappaO)bis(2-(2-hydroxyethoxy)ethanolato-kappaO)-, Bis((2,2',2''-nitrilotris(ethanolato))(1-)-N,O)bis((2,2'-oxybis(ethanolato))(1-)-O1)titanium, Titanium, bis[2-[bis(2-hydroxyethyl)amino-.kappa.N]ethanolato-.kappa.O]bis[2-(2-hydroxyethoxy)ethanolato-.kappa.O]-
| Molecular Formula | C20H50N2O12Ti |
|---|---|
| Molecular Weight | 558.28 g/mol |
| LogP | -5.5 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Exact Mass | 558.2843 |
| Heavy Atoms | 35 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 68631-27-6 |
|---|---|
| SMILES | C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.C(COCCO)O.C(COCCO)O.[Ti] |
| InChIKey | FNDHRCVSQDYPAM-UHFFFAOYSA-N |
Product Overview
RefChem:898419 (CAS 68631-27-6), with molecular formula C20H50N2O12Ti and molecular weight 558.28 g/mol. IUPAC: bis(2-[bis(2-hydroxyethyl)amino]ethanol);bis(2-(2-hydroxyethoxy)ethanol);titanium.
Chemical Property Profile of RefChem:898419
Property Insights of RefChem:898419
The XLogP value of -5.5 indicates that RefChem:898419 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 227.0 Ų indicates high polarity, suggesting RefChem:898419 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:898419 has 10 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 RefChem:898419?
The CAS number of RefChem:898419 is 68631-27-6.
What is the molecular formula of RefChem:898419?
The molecular formula of RefChem:898419 is C20H50N2O12Ti.
What is the molecular weight of RefChem:898419?
The molecular weight of RefChem:898419 is 558.28 g/mol.
Where can I buy RefChem:898419?
You can request a quote for RefChem:898419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:898419?
Yes, KEHONG BIO provides custom synthesis services for RefChem:898419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.