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[ CAS No. 634908-75-1 ] {[proInfo.proName]}

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Chemical Structure| 634908-75-1
Chemical Structure| 634908-75-1
Structure of 634908-75-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 634908-75-1 ]

CAS No. :634908-75-1 MDL No. :MFCD01321056
Formula : C29H38N4O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 538.64 Pubchem ID :-
Synonyms :
WAY-100635 xMaleate

Calculated chemistry of [ 634908-75-1 ]

Physicochemical Properties

Num. heavy atoms : 39
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.45
Num. rotatable bonds : 10
Num. H-bond acceptors : 8.0
Num. H-bond donors : 2.0
Molar Refractivity : 156.86
TPSA : 123.51 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -8.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.24
Log Po/w (XLOGP3) : 1.5
Log Po/w (WLOGP) : 2.78
Log Po/w (MLOGP) : 1.77
Log Po/w (SILICOS-IT) : 2.99
Consensus Log Po/w : 2.66

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.69
Solubility : 0.109 mg/ml ; 0.000203 mol/l
Class : Soluble
Log S (Ali) : -3.7
Solubility : 0.107 mg/ml ; 0.000199 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.88
Solubility : 0.000704 mg/ml ; 0.00000131 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.83

Safety of [ 634908-75-1 ]

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