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[ CAS No. 379270-38-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 379270-38-9
Chemical Structure| 379270-38-9
Structure of 379270-38-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 379270-38-9 ]

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Product Details of [ 379270-38-9 ]

CAS No. :379270-38-9 MDL No. :MFCD28167823
Formula : C25H33N6O9P Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 592.54 Pubchem ID :-
Synonyms :
GS-7340 fumarate;TAF fumarate

Calculated chemistry of [ 379270-38-9 ]

Physicochemical Properties

Num. heavy atoms : 41
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.36
Num. rotatable bonds : 14
Num. H-bond acceptors : 13.0
Num. H-bond donors : 4.0
Molar Refractivity : 148.51
TPSA : 227.89 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 : Yes
Log Kp (skin permeation) : -8.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.42
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 2.69
Log Po/w (MLOGP) : -0.29
Log Po/w (SILICOS-IT) : 0.55
Consensus Log Po/w : 1.57

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -3.79
Solubility : 0.0955 mg/ml ; 0.000161 mol/l
Class : Soluble
Log S (Ali) : -5.87
Solubility : 0.000794 mg/ml ; 0.00000134 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.09
Solubility : 0.00482 mg/ml ; 0.00000813 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.92

Safety of [ 379270-38-9 ]

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:
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