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[ CAS No. 7415-69-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7415-69-2
Chemical Structure| 7415-69-2
Structure of 7415-69-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 7415-69-2 ]

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Product Details of [ 7415-69-2 ]

CAS No. :7415-69-2 MDL No. :MFCD00084665
Formula : C10H13N5Na2O11P2 Boiling Point : -
Linear Structure Formula :- InChI Key :LTZCGDIGAHOTKN-LGVAUZIVSA-L
M.W : 487.16 Pubchem ID :135818279
Synonyms :
GDP disodium salt

Calculated chemistry of [ 7415-69-2 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 6
Num. H-bond acceptors : 13.0
Num. H-bond donors : 5.0
Molar Refractivity : 84.26
TPSA : 277.85 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) : -12.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : -29.31
Log Po/w (XLOGP3) : -4.63
Log Po/w (WLOGP) : -1.89
Log Po/w (MLOGP) : -4.56
Log Po/w (SILICOS-IT) : -4.44
Consensus Log Po/w : -8.97

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.23
Solubility : 828.0 mg/ml ; 1.7 mol/l
Class : Highly soluble
Log S (Ali) : -0.58
Solubility : 128.0 mg/ml ; 0.262 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 2.25
Solubility : 87400.0 mg/ml ; 179.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.57

Safety of [ 7415-69-2 ]

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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