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[ CAS No. 147126-75-8 ] {[proInfo.proName]}

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Chemical Structure| 147126-75-8
Chemical Structure| 147126-75-8
Structure of 147126-75-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 147126-75-8 ]

CAS No. :147126-75-8 MDL No. :MFCD09753149
Formula : C18H26FN3O4S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 399.48 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 147126-75-8 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.72
Num. rotatable bonds : 5
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 102.35
TPSA : 121.74 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.57
Log Po/w (XLOGP3) : 3.16
Log Po/w (WLOGP) : 2.66
Log Po/w (MLOGP) : 2.41
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 2.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.14
Solubility : 0.0288 mg/ml ; 0.0000721 mol/l
Class : Moderately soluble
Log S (Ali) : -5.39
Solubility : 0.00164 mg/ml ; 0.0000041 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.67
Solubility : 0.85 mg/ml ; 0.00213 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 5.09

Safety of [ 147126-75-8 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 147126-75-8 ]

Amides

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Amines

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Related Parent Nucleus of
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Pyrimidines

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