difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)
TL;DR: difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) (CAS 5456-18-8) is a chemical compound with molecular formula C20H32F2O4Ti+2 and molecular weight 422.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-cyclohexylbutane-1,3-dione);titanium(4+);difluoride
Also Known As: TI(Bzac)2-F2, Ti-BZAC-F2, KST-1B5351, KST-1B5352, Difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)
| Molecular Formula | C20H32F2O4Ti+2 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | -1.7647 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.1748 |
| Heavy Atoms | 27 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 5456-18-8 |
|---|---|
| SMILES | CC(=O)CC(=O)C1CCCCC1.CC(=O)CC(=O)C1CCCCC1.[F-].[F-].[Ti+4] |
| InChIKey | LJBNRGSJUHRRLI-UHFFFAOYSA-L |
Product Overview
difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) (CAS 5456-18-8), with molecular formula C20H32F2O4Ti+2 and molecular weight 422.17 g/mol. IUPAC: bis(1-cyclohexylbutane-1,3-dione);titanium(4+);difluoride.
Chemical Property Profile of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)
Property Insights of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)
The XLogP value of -1.7647 indicates that difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for difluorobis(1-phenyl-1,3-butanedionato)titanium (IV). Following Lipinski's Rule of Five, difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) has 0 hydrogen bond donor(s) and 6 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 difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)?
The CAS number of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) is 5456-18-8.
What is the molecular formula of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)?
The molecular formula of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) is C20H32F2O4Ti+2.
What is the molecular weight of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)?
The molecular weight of difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) is 422.17 g/mol.
Where can I buy difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)?
You can request a quote for difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for difluorobis(1-phenyl-1,3-butanedionato)titanium (IV)?
Yes, KEHONG BIO provides custom synthesis services for difluorobis(1-phenyl-1,3-butanedionato)titanium (IV) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.