TI(Bzac)2-Br2
TL;DR: TI(Bzac)2-Br2 (CAS 66749-01-7) is a chemical compound with molecular formula C20H18Br2O4Ti and molecular weight 527.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium(4+);dibromide
Also Known As: TI(Bzac)2-Br2, Dibromobis(1-phenyl-1,3-butanedionato)titanium (IV), Dibromobis(1-phenyl-1,3-butanedionato-O,O')titanium, Titanium, dibromobis(1-phenyl-1,3-butanedionato-O,O')-, (Z)-3-oxo-1-phenylbut-1-en-1-olate;titanium(4+);dibromide
| Molecular Formula | C20H18Br2O4Ti |
|---|---|
| Molecular Weight | 527.91 g/mol |
| LogP | -4.0409 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.9051 |
| Heavy Atoms | 27 |
| Complexity | 679.59174 |
Chemical Identifiers
| CAS Number | 66749-01-7 |
|---|---|
| SMILES | CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Ti+4].[Br-].[Br-] |
Product Overview
TI(Bzac)2-Br2 (CAS 66749-01-7), with molecular formula C20H18Br2O4Ti and molecular weight 527.91 g/mol. IUPAC: bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);titanium(4+);dibromide.
Chemical Property Profile of TI(Bzac)2-Br2
Property Insights of TI(Bzac)2-Br2
The XLogP value of -4.0409 indicates that TI(Bzac)2-Br2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for TI(Bzac)2-Br2. Following Lipinski's Rule of Five, TI(Bzac)2-Br2 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TI(Bzac)2-Br2?
The CAS number of TI(Bzac)2-Br2 is 66749-01-7.
What is the molecular formula of TI(Bzac)2-Br2?
The molecular formula of TI(Bzac)2-Br2 is C20H18Br2O4Ti.
What is the molecular weight of TI(Bzac)2-Br2?
The molecular weight of TI(Bzac)2-Br2 is 527.91 g/mol.
Where can I buy TI(Bzac)2-Br2?
You can request a quote for TI(Bzac)2-Br2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TI(Bzac)2-Br2?
Yes, KEHONG BIO provides custom synthesis services for TI(Bzac)2-Br2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.