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[ CAS No. 12107-56-1 ] {[proInfo.proName]}

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Chemical Structure| 12107-56-1
Chemical Structure| 12107-56-1
Structure of 12107-56-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 12107-56-1 ]

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Product Details of [ 12107-56-1 ]

CAS No. :12107-56-1 MDL No. :MFCD00012412
Formula : C8H12Cl2Pd Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 285.51 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 12107-56-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.21
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.76
Log Po/w (WLOGP) : 4.05
Log Po/w (MLOGP) : 3.27
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 2.87

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.61
Solubility : 0.00703 mg/ml ; 0.0000246 mol/l
Class : Moderately soluble
Log S (Ali) : -4.49
Solubility : 0.00922 mg/ml ; 0.0000323 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.1
Solubility : 22.5 mg/ml ; 0.0789 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.97

Safety of [ 12107-56-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 12107-56-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 12107-56-1 ]

[ 12107-56-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 12150-46-8 ]
  • [ 12107-56-1 ]
  • [ 72287-26-4 ]
  • 2
  • [ 52522-40-4 ]
  • ammonium hexafluorophosphate [ No CAS ]
  • [ 12107-56-1 ]
  • [ 119072-54-7 ]
  • [Pd3(2,6-dimethylisocyanide)8][PF6]2 [ No CAS ]
  • 3
  • [ 12107-56-1 ]
  • [ 14180-51-9 ]
  • [ 84914-25-0 ]
  • 5
  • tris(dibenzylideneacetone)dipalladium (0) [ No CAS ]
  • [ 12107-56-1 ]
  • [ 224311-51-7 ]
  • [ 729605-49-6 ]
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