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[ CAS No. 205319-06-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 205319-06-8
Chemical Structure| 205319-06-8
Structure of 205319-06-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 205319-06-8 ]

CAS No. :205319-06-8 MDL No. :MFCD09953446
Formula : C36H28Cl2OP2Pd Boiling Point : -
Linear Structure Formula :- InChI Key :VYOUBMJFTDMKRR-UHFFFAOYSA-L
M.W : 715.88 Pubchem ID :11377567
Synonyms :

Calculated chemistry of [ 205319-06-8 ]

Physicochemical Properties

Num. heavy atoms : 42
Num. arom. heavy atoms : 36
Fraction Csp3 : 0.0
Num. rotatable bonds : 8
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 182.08
TPSA : 36.41 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 10.43
Log Po/w (WLOGP) : 8.37
Log Po/w (MLOGP) : 7.99
Log Po/w (SILICOS-IT) : 9.99
Consensus Log Po/w : 7.36

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -10.96
Solubility : 0.0000000079 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -11.14
Solubility : 0.0000000052 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -14.72
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.72

Safety of [ 205319-06-8 ]

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 [ 205319-06-8 ]

* 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 [ 205319-06-8 ]
  • Downstream synthetic route of [ 205319-06-8 ]

[ 205319-06-8 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 12107-56-1 ]
  • [ 166330-10-5 ]
  • [ 205319-06-8 ]
Reference: [1] Chemical Communications, 2013, vol. 49, # 62, p. 7010 - 7012
[2] Organometallics, 2006, vol. 25, # 13, p. 3102 - 3104
  • 2
  • [ 15617-18-2 ]
  • [ 166330-10-5 ]
  • [ 205319-06-8 ]
Reference: [1] European Journal of Inorganic Chemistry, 1998, # 2, p. 155 - 157
  • 3
  • [ 166330-10-5 ]
  • [ 205319-06-8 ]
Reference: [1] Russian Journal of General Chemistry, 2005, vol. 75, # 2, p. 207 - 211
[2] Journal of Organometallic Chemistry, 2012, vol. 696, # 26, p. 4293 - 4297
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