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[ CAS No. 153433-26-2 ]

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Chemical Structure| 153433-26-2
Chemical Structure| 153433-26-2
Structure of 153433-26-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 153433-26-2 ]

CAS No. :153433-26-2 MDL No. :MFCD09039291
Formula : C5H10BClF4N2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :220.40 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 153433-26-2 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.9
TPSA : 6.25 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) : -5.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.6
Log Po/w (WLOGP) : 2.39
Log Po/w (MLOGP) : 1.57
Log Po/w (SILICOS-IT) : 0.28
Consensus Log Po/w : 1.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.84
Solubility : 0.315 mg/ml ; 0.00143 mol/l
Class : Soluble
Log S (Ali) : -2.38
Solubility : 0.918 mg/ml ; 0.00416 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.44
Solubility : 8.0 mg/ml ; 0.0363 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.15

Safety of [ 153433-26-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:
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