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[ CAS No. 155138-25-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 155138-25-3
Chemical Structure| 155138-25-3
Structure of 155138-25-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 155138-25-3 ]

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Product Details of [ 155138-25-3 ]

CAS No. :155138-25-3 MDL No. :MFCD08445581
Formula : C10H13Cl2NO Boiling Point : -
Linear Structure Formula :- InChI Key :VUEDLLVHFJZRCC-UHFFFAOYSA-N
M.W : 234.12 Pubchem ID :14425824
Synonyms :

Calculated chemistry of [ 155138-25-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 63.49
TPSA : 21.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 2.1
Log Po/w (MLOGP) : 2.01
Log Po/w (SILICOS-IT) : 2.77
Consensus Log Po/w : 1.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.14
Solubility : 0.168 mg/ml ; 0.00072 mol/l
Class : Soluble
Log S (Ali) : -2.63
Solubility : 0.545 mg/ml ; 0.00233 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.69
Solubility : 0.048 mg/ml ; 0.000205 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 155138-25-3 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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