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[ CAS No. 24292-60-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 24292-60-2
Chemical Structure| 24292-60-2
Structure of 24292-60-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 24292-60-2 ]

CAS No. :24292-60-2 MDL No. :MFCD00065390
Formula : C21H26N7Na2O17P3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 787.37 Pubchem ID :-
Synonyms :
Disodium NADP

Calculated chemistry of [ 24292-60-2 ]

Physicochemical Properties

Num. heavy atoms : 50
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.48
Num. rotatable bonds : 13
Num. H-bond acceptors : 20.0
Num. H-bond donors : 6.0
Molar Refractivity : 147.27
TPSA : 402.71 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) : -16.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : -38.85
Log Po/w (XLOGP3) : -7.02
Log Po/w (WLOGP) : -2.23
Log Po/w (MLOGP) : -5.9
Log Po/w (SILICOS-IT) : -7.57
Consensus Log Po/w : -12.31

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 5.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : 0.34
Solubility : 1710.0 mg/ml ; 2.17 mol/l
Class : Highly soluble
Log S (Ali) : -0.72
Solubility : 149.0 mg/ml ; 0.189 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 2.96
Solubility : 718000.0 mg/ml ; 912.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.31

Safety of [ 24292-60-2 ]

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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