Tetra-tert-butyl orthotitanate
TL;DR: Tetra-tert-butyl orthotitanate (CAS 3087-39-6) is a chemical compound with molecular formula C16H40O4Ti and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(2-methylpropan-2-ol);titanium
Also Known As: Tetra-tert-butyl orthotitanate, titanium t-butoxide, 2-methylpropan-2-ol;titanium, tetra-tert-butoxytitanium, Titanum tetra t-butoxide
| Molecular Formula | C16H40O4Ti |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 3.1063 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.2406 |
| Heavy Atoms | 21 |
| Complexity | 130.27777 |
Chemical Identifiers
| CAS Number | 3087-39-6 |
|---|---|
| SMILES | CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Ti] |
Product Overview
Tetra-tert-butyl orthotitanate (CAS 3087-39-6), with molecular formula C16H40O4Ti and molecular weight 344.24 g/mol. IUPAC: tetrakis(2-methylpropan-2-ol);titanium.
Chemical Property Profile of Tetra-tert-butyl orthotitanate
Property Insights of Tetra-tert-butyl orthotitanate
The XLogP value of 3.1063 indicates that Tetra-tert-butyl orthotitanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetra-tert-butyl orthotitanate. Following Lipinski's Rule of Five, Tetra-tert-butyl orthotitanate has 4 hydrogen bond donor(s) and 4 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 Tetra-tert-butyl orthotitanate?
The CAS number of Tetra-tert-butyl orthotitanate is 3087-39-6.
What is the molecular formula of Tetra-tert-butyl orthotitanate?
The molecular formula of Tetra-tert-butyl orthotitanate is C16H40O4Ti.
What is the molecular weight of Tetra-tert-butyl orthotitanate?
The molecular weight of Tetra-tert-butyl orthotitanate is 344.24 g/mol.
Where can I buy Tetra-tert-butyl orthotitanate?
You can request a quote for Tetra-tert-butyl orthotitanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetra-tert-butyl orthotitanate?
Yes, KEHONG BIO provides custom synthesis services for Tetra-tert-butyl orthotitanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.