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[ CAS No. 1351635-67-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1351635-67-0
Chemical Structure| 1351635-67-0
Structure of 1351635-67-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1351635-67-0 ]

CAS No. :1351635-67-0 MDL No. :MFCD29049511
Formula : C25H24N6O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KSUDUUBCXJUFRL-SFHVURJKSA-N
M.W : 456.50 Pubchem ID :89455219
Synonyms :
GS-4059 analog;ONO-WG-307;ONO-4059 analogue

Calculated chemistry of [ 1351635-67-0 ]

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 21
Fraction Csp3 : 0.2
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 133.38
TPSA : 108.27 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.67
Log Po/w (XLOGP3) : 2.92
Log Po/w (WLOGP) : 2.93
Log Po/w (MLOGP) : 2.66
Log Po/w (SILICOS-IT) : 1.69
Consensus Log Po/w : 2.78

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.57
Solubility : 0.0123 mg/ml ; 0.0000269 mol/l
Class : Moderately soluble
Log S (Ali) : -4.85
Solubility : 0.00638 mg/ml ; 0.000014 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.6
Solubility : 0.00116 mg/ml ; 0.00000254 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.92

Safety of [ 1351635-67-0 ]

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