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[ CAS No. 150025-93-7 ] (S)-1-(3,4-Dichlorophenyl)ethanamine

Cat. No.: A446813
Chemical Structure| 150025-93-7
Chemical Structure| 150025-93-7
Structure of 150025-93-7 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $49.00 Inquiry Inquiry
95% 250mg $59.00 Inquiry Inquiry
95% 1g $120.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,Room temperature

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Product Details of [ 150025-93-7 ]

CAS No. :150025-93-7 MDL No. :MFCD07772667
Formula : C8H9Cl2N Boiling Point : -
Linear Structure Formula :- InChI Key :UJUFOUVXOUYYRG-YFKPBYRVSA-N
M.W : 190.07 Pubchem ID :793512
Synonyms :

Calculated chemistry of [ 150025-93-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.94
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.19
Log Po/w (XLOGP3) : 2.84
Log Po/w (WLOGP) : 2.69
Log Po/w (MLOGP) : 3.03
Log Po/w (SILICOS-IT) : 2.87
Consensus Log Po/w : 2.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.15
Solubility : 0.136 mg/ml ; 0.000716 mol/l
Class : Soluble
Log S (Ali) : -3.04
Solubility : 0.171 mg/ml ; 0.000902 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.71
Solubility : 0.0372 mg/ml ; 0.000196 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.76

Safety of [ 150025-93-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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