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[ CAS No. 1215107-26-8 ] {[proInfo.proName]}

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Chemical Structure| 1215107-26-8
Chemical Structure| 1215107-26-8
Structure of 1215107-26-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1215107-26-8 ]

CAS No. :1215107-26-8 MDL No. :MFCD12827996
Formula : C9H13BN2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 208.02 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1215107-26-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 59.79
TPSA : 65.82 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.49
Log Po/w (WLOGP) : -1.78
Log Po/w (MLOGP) : -1.42
Log Po/w (SILICOS-IT) : -1.19
Consensus Log Po/w : -0.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.99
Solubility : 21.5 mg/ml ; 0.104 mol/l
Class : Very soluble
Log S (Ali) : -0.42
Solubility : 78.2 mg/ml ; 0.376 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.11
Solubility : 16.2 mg/ml ; 0.078 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.37

Safety of [ 1215107-26-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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