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[ CAS No. 141977-79-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 141977-79-9
Chemical Structure| 141977-79-9
Structure of 141977-79-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 141977-79-9 ]

CAS No. :141977-79-9 MDL No. :MFCD04113190
Formula : C34H68N2O4Pt Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 763.99 Pubchem ID :-
Synonyms :
SM-11355

Calculated chemistry of [ 141977-79-9 ]

Physicochemical Properties

Num. heavy atoms : 41
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.94
Num. rotatable bonds : 28
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 173.54
TPSA : 104.64 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) : -2.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 12.37
Log Po/w (WLOGP) : 9.6
Log Po/w (MLOGP) : 4.89
Log Po/w (SILICOS-IT) : 9.6
Consensus Log Po/w : 7.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -10.52
Solubility : 0.000000023 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -14.58
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -10.05
Solubility : 0.0000000681 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.2

Safety of [ 141977-79-9 ]

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