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[ CAS No. 2936-63-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2936-63-2
Chemical Structure| 2936-63-2
Chemical Structure| 2936-63-2
Structure of 2936-63-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2936-63-2 ]

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Alternatived Products of [ 2936-63-2 ]

Product Details of [ 2936-63-2 ]

CAS No. :2936-63-2 MDL No. :MFCD00168077
Formula : C17H15N Boiling Point : -
Linear Structure Formula :- InChI Key :MKYLPACDIKGXSW-UHFFFAOYSA-N
M.W :233.31 Pubchem ID :12949918
Synonyms :

Calculated chemistry of [ 2936-63-2 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.06
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 76.11
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.44
Log Po/w (XLOGP3) : 3.96
Log Po/w (WLOGP) : 3.56
Log Po/w (MLOGP) : 3.89
Log Po/w (SILICOS-IT) : 3.91
Consensus Log Po/w : 3.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.31
Solubility : 0.0115 mg/ml ; 0.0000493 mol/l
Class : Moderately soluble
Log S (Ali) : -4.21
Solubility : 0.0145 mg/ml ; 0.0000621 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.29
Solubility : 0.000121 mg/ml ; 0.000000518 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.83

Safety of [ 2936-63-2 ]

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

Application In Synthesis of [ 2936-63-2 ]

* 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 [ 2936-63-2 ]

[ 2936-63-2 ] Synthesis Path-Downstream   1~21

  • 5
  • [ 2936-63-2 ]
  • [ 541-41-3 ]
  • [ 857829-29-9 ]
  • 6
  • [ 2936-63-2 ]
  • [ 123-08-0 ]
  • <i>dl</i>-1-[α-(4-oxy-benzylidenamino)-benzyl]-naphthalene [ No CAS ]
  • 7
  • [ 2936-63-2 ]
  • [ 100-10-7 ]
  • (4-dimethylamino-benzylidene)-([1]naphthyl-phenyl-methyl)-amine [ No CAS ]
  • 8
  • [ 92-29-5 ]
  • [ 703-55-9 ]
  • [ 2936-63-2 ]
  • 10
  • [ 60-29-7 ]
  • [ 2936-63-2 ]
  • petroleum ether [ No CAS ]
  • <i>dl</i>-bis-(phenyl-α-naphthyl-methyl)-amine [ No CAS ]
  • 11
  • [ 7252-83-7 ]
  • [ 2936-63-2 ]
  • (R)-(-)-N-(2,2-dimethoxyethyl)-α-(1-naphthalenyl)benzylamine [ No CAS ]
  • (2,2-Dimethoxy-ethyl)-((S)-naphthalen-1-yl-phenyl-methyl)-amine [ No CAS ]
  • 12
  • [ 2936-63-2 ]
  • [ 841-86-1 ]
  • 13
  • [ 2936-63-2 ]
  • ([1]naphthyl-phenyl-methyl)-nitroso-carbamic acid ethyl ester [ No CAS ]
  • 14
  • C30H23NO [ No CAS ]
  • [ 92-83-1 ]
  • [ 2936-63-2 ]
  • 15
  • [ 2936-63-2 ]
  • [ 98-88-4 ]
  • N-(naphthalen-1-yl(phenyl)methyl)benzamide [ No CAS ]
  • 16
  • [ 1069136-41-9 ]
  • [ 108-90-7 ]
  • [ 2936-63-2 ]
  • 17
  • [ 2936-63-2 ]
  • [ 2493-02-9 ]
  • 1-(4-bromophenyl)-3-(naphthalen-1-yl(phenyl)methyl)urea [ No CAS ]
  • 18
  • [ 2936-63-2 ]
  • [ 642-29-5 ]
  • 19
  • [ 41839-61-6 ]
  • [ 2936-63-2 ]
  • 20
  • [ 86-53-3 ]
  • [ 2936-63-2 ]
  • 21
  • [ 50-00-0 ]
  • [ 2936-63-2 ]
  • C19H19N [ No CAS ]
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