| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 18 | No |
Popular Name: Bis(dibenzylideneacetone)palladium Bis(dibenzylideneacetone)palladium
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1608-26-0 , 32005-36-0 , 35225-79-7 , 35225-79-7(trans)/538-58-9 , 51364-51-3 , 52409-22-0 , 52522-40-4 , 538-58-9 , 88056-92-2 , Bis(dibenzylideneacetone)palladium , Tris(dibenzylideneacetone)dipalladium , Tris(dibenzylideneacetone)dipalladium-chloroform adduct , [1608-26-0]
"Bis(dibenzylideneacetone)palladium, 98%"
"trans,trans-Dibenzylideneacetone, 99%"
"Tris(dibenzylideneacetone)dipalladium(0), 98%"
"Tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct, 98%"
((1Z,4E)-3-methylenepenta-1,4-diene-1,5-diyl)dibenzene
(-)-2-CYANO-6-PHENYLOXAZOLOPIPERIDINE
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
(E,E)-1,5-Diphenyl-1,4-pentadien-3-one
1,5-Diphenylpenta-1,4-dien-3-one
Bis(dibenzylideneacetone) palladium(0)
Bis(dibenzylideneacetone)palladium(0)
BISDIBENZYLIDENEACETONEPALLADIUM ()
Bis[tris(dibenzylideneacetone)palladium(0)]
trans,trans-1,5-Diphenyl-1,4-pentadien-3-one
trans,trans-1,5-Diphenylpenta-1,4-dien-3-one
trans,trans-Dibenzylideneacetone
trans,trans-Dibenzylideneacetone, 98%
trans,trans-Dibenzylideneacetone, 98+%
Tris(dibenylideneacetone)dipalladium-chloroform
Tris(Dibenzylidenacetone)palladium (O)
Tris(dibenzylideneacetone) dipalladium Chloroform Adduct
Tris(dibenzylideneacetone)-dipalladium(0)
Tris(dibenzylideneacetone)dipalladium
Tris(Dibenzylideneacetone)dipalladium (0)
Tris(Dibenzylideneacetone)dipalladium (0) chloroform adduct
Tris(Dibenzylideneacetone)dipalladium (0)chloroform adduct
TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM (O)
Tris(dibenzylideneacetone)dipalladium(0)
Tris(dibenzylideneacetone)dipalladium(0) chloroform adduct
Tris(dibenzylideneacetone)dipalladium(0), complex with chloroform, Pd 20.6%
Tris(dibenzylideneacetone)dipalladium(0), Pd 21.5% min
Tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct
Tris(dibenzylideneacetone)dipalladium-chloroform adduct
Tris(dimethylamino)phosphine, 99%+
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.18 | 10.65 | -7.24 | 0 | 1 | 0 | 17 | 234.298 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 107 - 114 | Acros Organics |
| Melting_Point | 112-114? | Alfa-Aesar |
| Melting_Point | 112-114° | Alfa-Aesar |
| MP | 113 | TCI |
| Melting_Point | 131-135? | Alfa-Aesar |
| MP | 131-135° | Oakwood Chemical |
| Melting_Point | 135? dec. | Alfa-Aesar |
| MP | 135° dec | Matrix Scientific |
| Melting_Point | 135° dec. | Alfa-Aesar |
| Melting_Point | 152-155? | Alfa-Aesar |
| MP | 152-155° | Oakwood Chemical |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | >98% | Fluorochem |
| Purity | >99% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Air Sensitive/Moisture Sensitive/Stored under Argon | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Purity | tech | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP1A2-3-E | Cytochrome P450 1A2 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 3700 | 0.42 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP1A2_HUMAN | P05177 | Cytochrome P450 1A2, Human | 3700 | 0.42 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2 | |
| Methylation | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) |
