Home Cart 0 Sign in  

[ CAS No. 205319-10-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 205319-10-4
Chemical Structure| 205319-10-4
Structure of 205319-10-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 205319-10-4 ]

Related Doc. of [ 205319-10-4 ]

Alternatived Products of [ 205319-10-4 ]

Product Details of [ 205319-10-4 ]

CAS No. :205319-10-4 MDL No. :MFCD14155707
Formula : C39H32Cl2OP2Pd Boiling Point : -
Linear Structure Formula :- InChI Key :HEYONDYPXIUDCK-UHFFFAOYSA-L
M.W : 755.94 Pubchem ID :60153068
Synonyms :

Calculated chemistry of [ 205319-10-4 ]

Physicochemical Properties

Num. heavy atoms : 45
Num. arom. heavy atoms : 36
Fraction Csp3 : 0.08
Num. rotatable bonds : 4
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 194.58
TPSA : 28.85 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) : -2.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 11.3
Log Po/w (WLOGP) : 9.01
Log Po/w (MLOGP) : 8.12
Log Po/w (SILICOS-IT) : 9.14
Consensus Log Po/w : 7.51

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -11.97
Solubility : 0.0000000008 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -11.88
Solubility : 0.000000001 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -17.05
Solubility : 0.0 mg/ml ; 8.81e-18 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.05

Safety of [ 205319-10-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280 UN#:N/A
Hazard Statements:H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 205319-10-4 ]

* 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 [ 205319-10-4 ]
  • Downstream synthetic route of [ 205319-10-4 ]

[ 205319-10-4 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 21264-30-2 ]
  • [ 161265-03-8 ]
  • [ 205319-10-4 ]
Reference: [1] Organic Syntheses, 2016, vol. 93, p. 341 - 351
[2] Organic Syntheses, 2016, vol. 93, p. 341 - 351
[3] Journal of the American Chemical Society, 2015, vol. 137, # 39, p. 12490 - 12493
  • 2
  • [ 15617-18-2 ]
  • [ 161265-03-8 ]
  • [ 205319-10-4 ]
Reference: [1] European Journal of Inorganic Chemistry, 1998, # 2, p. 155 - 157
  • 3
  • [ 161265-03-8 ]
  • [ 205319-10-4 ]
Reference: [1] Journal of Organometallic Chemistry, 2012, vol. 696, # 26, p. 4293 - 4297
Same Skeleton Products
Historical Records