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[ CAS No. 12012-95-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 12012-95-2
Chemical Structure| 12012-95-2
Structure of 12012-95-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 12012-95-2 ]

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Product Details of [ 12012-95-2 ]

CAS No. :12012-95-2 MDL No. :MFCD00044874
Formula : C6H10Cl2Pd2 Boiling Point : -
Linear Structure Formula :- InChI Key :PENAXHPKEVTBLF-UHFFFAOYSA-L
M.W : 365.89 Pubchem ID :61538
Synonyms :

Calculated chemistry of [ 12012-95-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.33
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.71
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) : -5.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.04
Log Po/w (WLOGP) : 3.66
Log Po/w (MLOGP) : 3.04
Log Po/w (SILICOS-IT) : 0.52
Consensus Log Po/w : 2.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.39
Solubility : 0.0149 mg/ml ; 0.0000408 mol/l
Class : Moderately soluble
Log S (Ali) : -3.74
Solubility : 0.066 mg/ml ; 0.000181 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.71
Solubility : 7.07 mg/ml ; 0.0193 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.82

Safety of [ 12012-95-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P332+P313-P362+P364 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 12012-95-2 ]

* 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 [ 12012-95-2 ]

[ 12012-95-2 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 12012-95-2 ]
  • [ 5815-61-2 ]
  • C12H24N3O3P*C3H5ClPd [ No CAS ]
  • 2
  • [ 4630-82-4 ]
  • [ 12012-95-2 ]
  • [ 75266-48-7 ]
  • 3
  • [ 4630-82-4 ]
  • [ 12012-95-2 ]
  • [ 138052-81-0 ]
  • 4
  • [ 16889-72-8 ]
  • [ 12012-95-2 ]
  • [ 138052-83-2 ]
  • 6
  • [ 12012-95-2 ]
  • 3-Methyl-2-{3-[(S)-3-methyl-2-(toluene-4-sulfonylamino)-butyrylamino]-propionylamino}-pent-4-enoic acid methyl ester [ No CAS ]
  • [N-allyl-N-(4-toluolsulfonyl)]-(S)-valinyl-β-alaninyl-(R)-γ,δ-dehydro-alloisoleucine methyl ester [ No CAS ]
  • 7
  • [ 233591-88-3 ]
  • [ 12012-95-2 ]
  • [ 253608-35-4 ]
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