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[ CAS No. 56293-29-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 56293-29-9
Chemical Structure| 56293-29-9
Structure of 56293-29-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 56293-29-9 ]

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Product Details of [ 56293-29-9 ]

CAS No. :56293-29-9 MDL No. :MFCD00468086
Formula : C15H24N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 232.36 Pubchem ID :-
Synonyms :
Chemical Name :(6R,6aR,13R,13aS)-2,3,4,6,6a,7,8,9,10,12,13,13a-Dodecahydro-1H-6,13-methanodipyrido[1,2-a:3',2'-e]azocine

Calculated chemistry of [ 56293-29-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.87
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 78.82
TPSA : 15.27 ?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) : -6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.01
Log Po/w (XLOGP3) : 1.59
Log Po/w (WLOGP) : 1.41
Log Po/w (MLOGP) : 2.74
Log Po/w (SILICOS-IT) : 1.84
Consensus Log Po/w : 2.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.28
Solubility : 1.21 mg/ml ; 0.00522 mol/l
Class : Soluble
Log S (Ali) : -1.52
Solubility : 6.99 mg/ml ; 0.0301 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.26
Solubility : 1.27 mg/ml ; 0.00548 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.45

Safety of [ 56293-29-9 ]

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 [ 56293-29-9 ]

* 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 [ 56293-29-9 ]

[ 56293-29-9 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 106-95-6 ]
  • [ 56293-29-9 ]
  • (+)-N-allylaloperine [ No CAS ]
  • 2
  • [ 220384-63-4 ]
  • [ 56293-29-9 ]
  • 3
  • [ 50-00-0 ]
  • [ 56293-29-9 ]
  • [ 63128-33-6 ]
  • 5
  • [ 792937-20-3 ]
  • [ 56293-29-9 ]
  • 6
  • (6R,8S,8aS)-1-Benzyl-8-bromomethyl-6-(R)-piperidin-2-yl-1,2,3,4,6,7,8,8a-octahydro-quinoline [ No CAS ]
  • [ 56293-29-9 ]
  • 7
  • [ 792937-19-0 ]
  • [ 56293-29-9 ]
  • 8
  • [ 792937-18-9 ]
  • [ 56293-29-9 ]
  • 9
  • 1-benzyl-6-(1-<i>tert</i>-butoxycarbonyl-piperidin-2-yl)-2-oxo-1,2,3,4,6,7,8,8a-octahydro-quinoline-8-carboxylic acid methyl ester [ No CAS ]
  • [ 56293-29-9 ]
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