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[ CAS No. 136293-86-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 136293-86-2
Chemical Structure| 136293-86-2
Structure of 136293-86-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 136293-86-2 ]

CAS No. :136293-86-2 MDL No. :MFCD09264395
Formula : C4H12Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :KBKDCBZELBBQQI-UHFFFAOYSA-N
M.W : 159.06 Pubchem ID :22121158
Synonyms :

Calculated chemistry of [ 136293-86-2 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.68
TPSA : 24.06 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) : -6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.81
Log Po/w (WLOGP) : 0.4
Log Po/w (MLOGP) : 0.21
Log Po/w (SILICOS-IT) : 0.27
Consensus Log Po/w : 0.34

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.27
Solubility : 8.53 mg/ml ; 0.0536 mol/l
Class : Very soluble
Log S (Ali) : -0.9
Solubility : 20.2 mg/ml ; 0.127 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.86
Solubility : 21.8 mg/ml ; 0.137 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 136293-86-2 ]

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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