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[ CAS No. 14267-08-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14267-08-4
Chemical Structure| 14267-08-4
Structure of 14267-08-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 14267-08-4 ]

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Product Details of [ 14267-08-4 ]

CAS No. :14267-08-4 MDL No. :MFCD00075317
Formula : C6H16Cl2N2Pd Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 293.53 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 14267-08-4 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.45
TPSA : 6.48 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.9
Log Po/w (WLOGP) : -5.88
Log Po/w (MLOGP) : 1.29
Log Po/w (SILICOS-IT) : -0.46
Consensus Log Po/w : -0.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.66
Solubility : 0.644 mg/ml ; 0.00219 mol/l
Class : Soluble
Log S (Ali) : -1.66
Solubility : 6.44 mg/ml ; 0.0219 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.86
Solubility : 40.8 mg/ml ; 0.139 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.31

Safety of [ 14267-08-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14267-08-4 ]

* 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.

  • Upstream synthesis route of [ 14267-08-4 ]
  • Downstream synthetic route of [ 14267-08-4 ]

[ 14267-08-4 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 657408-07-6 ]
  • [ 13078-80-3 ]
  • [ 14267-08-4 ]
  • [ 917-54-4 ]
  • [ 1028206-58-7 ]
Reference: [1] Journal of the American Chemical Society, 2008, vol. 130, # 21, p. 6686 - 6687
  • 2
  • [ 13078-80-3 ]
  • [ 14267-08-4 ]
  • [ 917-54-4 ]
  • [ 564483-18-7 ]
  • [ 1028206-56-5 ]
Reference: [1] Journal of the American Chemical Society, 2008, vol. 130, # 21, p. 6686 - 6687
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