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Organometallic compounds

Budotitane

Also known as Budotitano, Budotitanum, Diethoxy-(1-phenyl-1,3-butanedionato)titanium (IV)

CAS 85969-07-9Formula C24H28O6TiMolar mass 460.35 g/mol
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Budotitane chemical structure, C24H28O6Ti, CAS 85969-07-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85969-07-9
Formula
C24H28O6Ti
Molar mass
460.35 g/mol
HS code
291439
Category
Organometallic compounds

What is Budotitane?

Plain description, key identifiers and synonyms

Budotitane is a titanium metal complex, coordinated with asymmetric beta-diketonate ligands, with antineoplastic activity. Although the exact mechanism of action remains to be elucidated, budotitane potentially binds either to macromolecules via coordinative covalent bonds, or via intercalation between nucleic acids strands by the aromatic ring of the beta-diketonate. In addition, this agent appears to cause cardiac arrhythmias and is toxic to the liver and kidneys at higher doses. The development of budotitane was halted due to the rapid loss of its labile groups under physiological conditions.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethanolate, bis(1-phenylbutane-1,3-dione), titanium(4+)
CAS number
85969-07-9 CAS number cross-checked
Molecular formula
C24H28O6Ti
UNII
DV05VZD83V
InChIKey
HYSIJEPDMLSIQJ-UHFFFAOYSA-N
InChI
InChI=1S/2C10H9O2.2C2H5O.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-3;/h2*2-7H,1H3;2*2H2,1H3;/q4*-1;+4
SMILES (canonical and isomeric)
CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]

Synonyms

  • Budotitano
  • Budotitanum
  • Diethoxy-(1-phenyl-1,3-butanedionato)titanium (IV)
  • Titanium, diethoxybis(1-phenyl-1,3-butanedionato-O,O')-, (17alpha,20E)-
  • ethanolate, 1-phenylbutane-1,3-dione, titanium(4+)
  • Titanium, diethoxybis(1-phenyl-1,3-butanedionato)-
  • Diethoxybis(1-phenyl-1,3-butanedionato-O,O')titanium
  • Titanium, diethoxybis(1-phenyl-1,3-butanedionato-kappaO,kappaO')-
  • Diethoxybis(1-phenylbutane-1,3-dionato)titanium(IV)
  • Diethoxybis(1-phenyl-1,3-butanedionato-kappaO1,kappaO3)titanium

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
460.35 g/molcalc.
Exact mass
460.1365 Dacalc.
LogP (octanol/water)
2.06calc.
Topological polar surface area
114.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Budotitane suppliers

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Budotitane price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Budotitane is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Budotitane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Budotitane, based on the data on this page

What is Budotitane?

Budotitane is a titanium metal complex, coordinated with asymmetric beta-diketonate ligands, with antineoplastic activity.

What is the CAS number of Budotitane?

The CAS registry number of Budotitane is 85969-07-9.

What is the molecular formula and weight of Budotitane?

The molecular formula of Budotitane is C24H28O6Ti and its molar mass is 460.35 g/mol.

Is Budotitane hazardous?

No GHS hazard classification for Budotitane is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Budotitane?

Budotitane is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Budotitane?

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What is the price of Budotitane?

Suppliers quote Budotitane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Budotitane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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