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[ CAS No. 1375325-68-0 ] {[proInfo.proName]}

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Chemical Structure| 1375325-68-0
Chemical Structure| 1375325-68-0
Structure of 1375325-68-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1375325-68-0 ]

CAS No. :1375325-68-0 MDL No. :MFCD20264899
Formula : C42H54ClNO2PPd Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 777.73 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1375325-68-0 ]

Physicochemical Properties

Num. heavy atoms : 48
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.43
Num. rotatable bonds : 11
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 207.19
TPSA : 58.07 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) : -2.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 11.8
Log Po/w (WLOGP) : 8.45
Log Po/w (MLOGP) : 7.32
Log Po/w (SILICOS-IT) : 8.94
Consensus Log Po/w : 7.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -11.73
Solubility : 0.0000000014 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -13.02
Solubility : 0.0000000001 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -13.56
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.29

Safety of [ 1375325-68-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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