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[ CAS No. 307492-75-7 ] {[proInfo.proName]}

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Chemical Structure| 307492-75-7
Chemical Structure| 307492-75-7
Structure of 307492-75-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 307492-75-7 ]

CAS No. :307492-75-7 MDL No. :MFCD08458929
Formula : C7H13BF4N2 Boiling Point : -
Linear Structure Formula :- InChI Key :KNIWGPCMWBGRBE-UHFFFAOYSA-N
M.W : 212.00 Pubchem ID :21977262
Synonyms :

Calculated chemistry of [ 307492-75-7 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.57
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.24
TPSA : 8.81 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) : -5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.06
Log Po/w (WLOGP) : 3.62
Log Po/w (MLOGP) : 1.32
Log Po/w (SILICOS-IT) : 0.69
Consensus Log Po/w : 1.74

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.28
Solubility : 0.111 mg/ml ; 0.000524 mol/l
Class : Soluble
Log S (Ali) : -2.91
Solubility : 0.26 mg/ml ; 0.00123 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.11
Solubility : 16.4 mg/ml ; 0.0774 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.65

Safety of [ 307492-75-7 ]

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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