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[ CAS No. 1375325-64-6 ] {[proInfo.proName]}

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Chemical Structure| 1375325-64-6
Chemical Structure| 1375325-64-6
Structure of 1375325-64-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1375325-64-6 ]

CAS No. :1375325-64-6 MDL No. :MFCD20264897
Formula : C38H45ClNO2PPd Boiling Point : No data available
Linear Structure Formula :- InChI Key :HODHLQXRQOHAAZ-UHFFFAOYSA-M
M.W : 720.62 Pubchem ID :71309966
Synonyms :
Chemical Name :Chloro(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II)

Calculated chemistry of [ 1375325-64-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 44
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.37
Num. rotatable bonds : 7
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 189.93
TPSA : 44.08 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -2.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 10.85
Log Po/w (WLOGP) : 10.29
Log Po/w (MLOGP) : 6.64
Log Po/w (SILICOS-IT) : 8.04
Consensus Log Po/w : 7.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -11.08
Solubility : 0.000000006 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -11.74
Solubility : 0.0000000013 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -13.75
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.44

Safety of [ 1375325-64-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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