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[ CAS No. 1432323-27-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1432323-27-7
Chemical Structure| 1432323-27-7
Chemical Structure| 1432323-27-7
Structure of 1432323-27-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1432323-27-7 ]

CAS No. :1432323-27-7 MDL No. :MFCD24539413
Formula : C9H7BrN2 Boiling Point : -
Linear Structure Formula :- InChI Key :RCWVZPCMTYJNGG-UHFFFAOYSA-N
M.W : 223.07 Pubchem ID :104573989
Synonyms :

Calculated chemistry of [ 1432323-27-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.11
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.2
TPSA : 25.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.08
Log Po/w (XLOGP3) : 2.26
Log Po/w (WLOGP) : 2.7
Log Po/w (MLOGP) : 1.9
Log Po/w (SILICOS-IT) : 3.07
Consensus Log Po/w : 2.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.26
Solubility : 0.122 mg/ml ; 0.000545 mol/l
Class : Soluble
Log S (Ali) : -2.44
Solubility : 0.814 mg/ml ; 0.00365 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.58
Solubility : 0.00594 mg/ml ; 0.0000266 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.57

Safety of [ 1432323-27-7 ]

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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