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[ CAS No. 138060-07-8 ] {[proInfo.proName]}

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Chemical Structure| 138060-07-8
Chemical Structure| 138060-07-8
Structure of 138060-07-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 138060-07-8 ]

CAS No. :138060-07-8 MDL No. :MFCD00012773
Formula : C5H14Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :GGPNYXIOFZLNKW-UHFFFAOYSA-N
M.W : 173.08 Pubchem ID :16211870
Synonyms :

Calculated chemistry of [ 138060-07-8 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.39
TPSA : 38.05 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 : Yes
Log Kp (skin permeation) : -6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.01
Log Po/w (WLOGP) : 0.92
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : 0.5
Consensus Log Po/w : 0.6

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.55
Solubility : 4.88 mg/ml ; 0.0282 mol/l
Class : Very soluble
Log S (Ali) : -1.4
Solubility : 6.92 mg/ml ; 0.04 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.65
Solubility : 38.7 mg/ml ; 0.223 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.61

Safety of [ 138060-07-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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