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[ CAS No. 1152110-23-0 ] {[proInfo.proName]}

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Chemical Structure| 1152110-23-0
Chemical Structure| 1152110-23-0
Structure of 1152110-23-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1152110-23-0 ]

CAS No. :1152110-23-0 MDL No. :MFCD15474956
Formula : C6H16Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 187.11 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1152110-23-0 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 56.3
TPSA : 15.27 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 : Yes
Log Kp (skin permeation) : -6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.64
Log Po/w (WLOGP) : 0.75
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 0.56
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.03
Solubility : 1.73 mg/ml ; 0.00926 mol/l
Class : Soluble
Log S (Ali) : -1.57
Solubility : 4.99 mg/ml ; 0.0267 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.86
Solubility : 25.6 mg/ml ; 0.137 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 1152110-23-0 ]

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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