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[ CAS No. 2108723-89-1 ] {[proInfo.proName]}

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Chemical Structure| 2108723-89-1
Chemical Structure| 2108723-89-1
Structure of 2108723-89-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2108723-89-1 ]

CAS No. :2108723-89-1 MDL No. :MFCD29034993
Formula : C11H24Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :NNRJRWMCQFMAGP-UHFFFAOYSA-N
M.W : 255.23 Pubchem ID :68850115
Synonyms :

Calculated chemistry of [ 2108723-89-1 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 74.21
TPSA : 29.26 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) : -5.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.11
Log Po/w (WLOGP) : 2.97
Log Po/w (MLOGP) : 2.37
Log Po/w (SILICOS-IT) : 1.54
Consensus Log Po/w : 2.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.32
Solubility : 0.123 mg/ml ; 0.000483 mol/l
Class : Soluble
Log S (Ali) : -3.39
Solubility : 0.103 mg/ml ; 0.000405 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.45
Solubility : 9.03 mg/ml ; 0.0354 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.54

Safety of [ 2108723-89-1 ]

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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