Tetrakis(2-ethylhexane-1,3-diolato)titanium
TL;DR: Tetrakis(2-ethylhexane-1,3-diolato)titanium (CAS 5575-43-9) is a chemical compound with molecular formula C32H68O8Ti and molecular weight 628.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(2-ethyl-3-hydroxyhexan-1-olate);titanium(4+)
Also Known As: Tetraoctyliniglycol titanate, Tetrakis(2-ethylhexane-1,3-diolato)titanium, Titanium, tetrakis(2-ethyl-1,3-hexanediolato)-, 2-ethyl-3-hydroxyhexan-1-olate;titanium(4+), titanium(4+) tetrakis(2-ethyl-3-hydroxyhexan-1-olate)
| Molecular Formula | C32H68O8Ti |
|---|---|
| Molecular Weight | 628.44 g/mol |
| LogP | 2.13 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 628.43933 |
| Heavy Atoms | 41 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 5575-43-9 |
|---|---|
| SMILES | CCCC(C(CC)C[O-])O.CCCC(C(CC)C[O-])O.CCCC(C(CC)C[O-])O.CCCC(C(CC)C[O-])O.[Ti+4] |
| InChIKey | BKLRDAVSRSSKAU-UHFFFAOYSA-N |
Product Overview
Tetrakis(2-ethylhexane-1,3-diolato)titanium (CAS 5575-43-9), with molecular formula C32H68O8Ti and molecular weight 628.44 g/mol. IUPAC: tetrakis(2-ethyl-3-hydroxyhexan-1-olate);titanium(4+).
Chemical Property Profile of Tetrakis(2-ethylhexane-1,3-diolato)titanium
Property Insights of Tetrakis(2-ethylhexane-1,3-diolato)titanium
The XLogP value of 2.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrakis(2-ethylhexane-1,3-diolato)titanium. The TPSA of 173.0 Ų indicates high polarity, suggesting Tetrakis(2-ethylhexane-1,3-diolato)titanium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrakis(2-ethylhexane-1,3-diolato)titanium has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrakis(2-ethylhexane-1,3-diolato)titanium?
The CAS number of Tetrakis(2-ethylhexane-1,3-diolato)titanium is 5575-43-9.
What is the molecular formula of Tetrakis(2-ethylhexane-1,3-diolato)titanium?
The molecular formula of Tetrakis(2-ethylhexane-1,3-diolato)titanium is C32H68O8Ti.
What is the molecular weight of Tetrakis(2-ethylhexane-1,3-diolato)titanium?
The molecular weight of Tetrakis(2-ethylhexane-1,3-diolato)titanium is 628.44 g/mol.
Where can I buy Tetrakis(2-ethylhexane-1,3-diolato)titanium?
You can request a quote for Tetrakis(2-ethylhexane-1,3-diolato)titanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrakis(2-ethylhexane-1,3-diolato)titanium?
Yes, KEHONG BIO provides custom synthesis services for Tetrakis(2-ethylhexane-1,3-diolato)titanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.