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[ CAS No. 75144-12-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 75144-12-6
Chemical Structure| 75144-12-6
Structure of 75144-12-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 75144-12-6 ]

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Product Details of [ 75144-12-6 ]

CAS No. :75144-12-6 MDL No. :MFCD01220371
Formula : C11H14Cl3NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :PRRKQCKNKRZOPV-UHFFFAOYSA-N
M.W : 282.59 Pubchem ID :2876896
Synonyms :
Chemical Name :1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride

Calculated chemistry of [ 75144-12-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 70.94
TPSA : 20.31 ?2

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) : -5.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.85
Log Po/w (WLOGP) : 3.93
Log Po/w (MLOGP) : 3.12
Log Po/w (SILICOS-IT) : 3.29
Consensus Log Po/w : 2.84

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.03
Solubility : 0.0263 mg/ml ; 0.0000931 mol/l
Class : Moderately soluble
Log S (Ali) : -3.97
Solubility : 0.0301 mg/ml ; 0.000106 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.5
Solubility : 0.00885 mg/ml ; 0.0000313 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 75144-12-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 75144-12-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 75144-12-6 ]

[ 75144-12-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 74-83-9 ]
  • [ 75144-12-6 ]
  • [ 95605-32-6 ]
  • 2
  • [ 75144-12-6 ]
  • 1-(3,4-dichlorophenyl)-3-dimethylamino-1-propanone hydrobromide [ No CAS ]
  • 3
  • [ 50-00-0 ]
  • [ 506-59-2 ]
  • [ 2642-63-9 ]
  • [ 75144-12-6 ]
  • 4
  • [ 79-19-6 ]
  • [ 75144-12-6 ]
  • 3-(3,4-Dichlorophenyl)-2-pyrazoline-1-thiocarboxamide [ No CAS ]
  • 5
  • [ 75144-12-6 ]
  • [ 50516-63-7 ]
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