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[ CAS No. 1256821-07-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1256821-07-4
Chemical Structure| 1256821-07-4
Chemical Structure| 1256821-07-4
Structure of 1256821-07-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1256821-07-4 ]

CAS No. :1256821-07-4 MDL No. :N/A
Formula : C10H14N2 Boiling Point : -
Linear Structure Formula :- InChI Key :JQBLKIOCJXIFJH-UHFFFAOYSA-N
M.W : 162.23 Pubchem ID :83826681
Synonyms :

Calculated chemistry of [ 1256821-07-4 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.18
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.05
Log Po/w (XLOGP3) : 0.69
Log Po/w (WLOGP) : 1.59
Log Po/w (MLOGP) : 1.17
Log Po/w (SILICOS-IT) : 2.15
Consensus Log Po/w : 1.53

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.52
Solubility : 4.92 mg/ml ; 0.0303 mol/l
Class : Very soluble
Log S (Ali) : -1.08
Solubility : 13.4 mg/ml ; 0.0824 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.69
Solubility : 0.331 mg/ml ; 0.00204 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.32

Safety of [ 1256821-07-4 ]

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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