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[ CAS No. 135906-03-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 135906-03-5
Chemical Structure| 135906-03-5
Structure of 135906-03-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 135906-03-5 ]

CAS No. :135906-03-5 MDL No. :MFCD09750974
Formula : C9H20Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 227.17 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 135906-03-5 ]

Physicochemical Properties

Num. heavy atoms : 13
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 : 64.6
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) : -5.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.46
Log Po/w (WLOGP) : 2.18
Log Po/w (MLOGP) : 1.81
Log Po/w (SILICOS-IT) : 0.61
Consensus Log Po/w : 1.41

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.8
Solubility : 0.361 mg/ml ; 0.00159 mol/l
Class : Soluble
Log S (Ali) : -2.72
Solubility : 0.434 mg/ml ; 0.00191 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.76
Solubility : 39.9 mg/ml ; 0.176 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.27

Safety of [ 135906-03-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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