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[ CAS No. 152533-47-6 ]

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Chemical Structure| 152533-47-6
Chemical Structure| 152533-47-6
Structure of 152533-47-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 152533-47-6 ]

CAS No. :152533-47-6 MDL No. :MFCD18633018
Formula : C11H17NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :211.26 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of [ 152533-47-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.49
TPSA : 46.61 Ų

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) : -6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.42
Log Po/w (XLOGP3) : 1.25
Log Po/w (WLOGP) : 1.35
Log Po/w (MLOGP) : 1.05
Log Po/w (SILICOS-IT) : 1.01
Consensus Log Po/w : 1.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.74
Solubility : 3.85 mg/ml ; 0.0182 mol/l
Class : Very soluble
Log S (Ali) : -1.83
Solubility : 3.15 mg/ml ; 0.0149 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.21
Solubility : 13.0 mg/ml ; 0.0615 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.58

Safety of [ 152533-47-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 152533-47-6 ]

* 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 [ 152533-47-6 ]

[ 152533-47-6 ] Synthesis Path-Downstream   1~59

  • 1
  • [ 69045-79-0 ]
  • [ 152533-47-6 ]
  • (+/-)-endo-2-(2-Chloro-5-pyridinyl)-7-<(1,1-dimethylethoxy)carbonyl>-7-azabicyclo<2.2.1>heptan-2-ol [ No CAS ]
  • 2
  • [ 152533-47-6 ]
  • (2-endo)-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester [ No CAS ]
  • 3
  • (2-endo)-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester [ No CAS ]
  • [ 152533-47-6 ]
  • 4
  • (2-endo)-2-hydroxy-7-azabicyclo[2.2.1]heptanes-7-carboxylic acid tert-butyl ester [ No CAS ]
  • [ 152533-47-6 ]
  • 5
  • [ 910332-68-2 ]
  • [ 152533-47-6 ]
  • 8
  • [ 152533-47-6 ]
  • [ 510748-11-5 ]
  • 2-{4-[2-(<i>tert</i>-butyl-dimethyl-silanyloxy)-ethyl]-6-methoxy-pyridin-3-yl}-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 9
  • [ 152533-47-6 ]
  • [ 510748-42-2 ]
  • 2-{2-[2-(<i>tert</i>-butyl-dimethyl-silanyloxy)-ethyl]-6-methoxy-pyridin-3-yl}-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid <i>tert</i>-butyl ester [ No CAS ]
  • 10
  • [ 510748-36-4 ]
  • [ 152533-47-6 ]
  • 11
  • [ 152533-47-6 ]
  • [ 249291-79-0 ]
  • (1R,2S,4S)-2-(6-Chloro-2-methyl-pyridin-3-yl)-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester [ No CAS ]
  • 12
  • [ 152533-47-6 ]
  • [ 550347-54-1 ]
  • (1R,2S,4S)-2-(6-Chloro-4-methyl-pyridin-3-yl)-2-hydroxy-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester [ No CAS ]
  • 13
  • [ 152533-47-6 ]
  • C13H15ClN2 [ No CAS ]
  • 14
  • [ 152533-47-6 ]
  • C13H15ClN2 [ No CAS ]
  • 15
  • [ 152533-47-6 ]
  • C13H15ClN2 [ No CAS ]
  • 16
  • [ 152533-47-6 ]
  • C13H15ClN2 [ No CAS ]
  • 17
  • [ 152533-47-6 ]
  • C14H18N2O [ No CAS ]
  • 18
  • [ 152533-47-6 ]
  • C14H18N2O [ No CAS ]
  • 19
  • [ 152533-47-6 ]
  • C14H18N2O [ No CAS ]
  • 20
  • [ 152533-47-6 ]
  • C14H18N2O [ No CAS ]
  • 21
  • [ 152533-47-6 ]
  • [ 510748-17-1 ]
  • 22
  • [ 152533-47-6 ]
  • [ 510748-50-2 ]
  • 23
  • [ 152533-47-6 ]
  • [ 510748-48-8 ]
  • 24
  • [ 152533-47-6 ]
  • [ 510748-15-9 ]
  • 25
  • [ 152533-47-6 ]
  • C19H26N2O3 [ No CAS ]
  • 26
  • [ 152533-47-6 ]
  • C19H26N2O3 [ No CAS ]
  • 27
  • [ 152533-47-6 ]
  • C16H17F3N2O2 [ No CAS ]
  • 28
  • [ 152533-47-6 ]
  • C15H14ClF3N2O [ No CAS ]
  • 29
  • [ 152533-47-6 ]
  • C19H26N2O3 [ No CAS ]
  • 30
  • [ 152533-47-6 ]
  • C16H17F3N2O2 [ No CAS ]
  • 31
  • [ 152533-47-6 ]
  • C15H14ClF3N2O [ No CAS ]
  • 32
  • [ 152533-47-6 ]
  • C19H26N2O3 [ No CAS ]
  • 33
  • [ 152533-47-6 ]
  • C15H14ClF3N2O [ No CAS ]
  • 34
  • [ 152533-47-6 ]
  • C16H17F3N2O2 [ No CAS ]
  • 35
  • [ 152533-47-6 ]
  • C15H14ClF3N2O [ No CAS ]
  • 36
  • [ 152533-47-6 ]
  • C16H17F3N2O2 [ No CAS ]
  • 37
  • [ 152533-47-6 ]
  • [ 510748-46-6 ]
  • 38
  • [ 152533-47-6 ]
  • [ 510748-13-7 ]
  • 39
  • [ 192118-47-1 ]
  • [ 152533-47-6 ]
  • 40
  • [ 152533-47-6 ]
  • [ 351019-20-0 ]
  • 41
  • [ 152533-47-6 ]
  • 7-tert-butoxycarbonyl-2-endo-[(2'-fluoro-5'-pyridinyl)]-7-azabicyclo[2.2.1]heptane [ No CAS ]
  • 43
  • [ 227454-54-8 ]
  • [ 152533-47-6 ]
  • 44
  • [ 227454-53-7 ]
  • [ 152533-47-6 ]
  • 46
  • [ 152533-47-6 ]
  • (+/-)-endo-2-(2-Chloro-5-pyridinyl)-7-<(1,1-dimethylethoxy)carbonyl>-7-azabicyclo<2.2.1>heptane [ No CAS ]
  • 48
  • [ 181873-33-6 ]
  • [ 152533-47-6 ]
  • 49
  • 3-oxo-7-aza-bicyclo[2.2.1]hept-5-ene-2,7-dicarboxylic acid 7-tert-butyl ester 2-methyl ester [ No CAS ]
  • [ 152533-47-6 ]
  • 51
  • [ 78293-47-7 ]
  • [ 152533-47-6 ]
  • 52
  • [ 152533-47-6 ]
  • (1R,2R,4S)-7-Benzyl-7-aza-bicyclo[2.2.1]heptan-2-ol [ No CAS ]
  • 53
  • [ 152533-47-6 ]
  • O-<(+/-)-endo-2-(2-Chloro-5-pyridinyl)-7-<(1,1-dimethylethoxy)carbonyl>-7-azabicyclo<2.2.1>heptan-2-yl> S-methyl xanthate [ No CAS ]
  • 54
  • [ 152533-47-6 ]
  • [ 140111-52-0 ]
  • 55
  • [ 152533-47-6 ]
  • 3-(2-Chloro-5-pyridinyl)-1-<(1,1-dimethylethoxy)carbonyl>pyrrole [ No CAS ]
  • 56
  • [ 152533-47-6 ]
  • (1S,2S,4R)-7-Aza-bicyclo[2.2.1]heptan-2-ol; compound with trifluoro-acetic acid [ No CAS ]
  • 57
  • [ 152533-47-6 ]
  • (1R,2S,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester [ No CAS ]
  • 58
  • [ 152533-47-6 ]
  • N-Boc-(-)-epibatidine [ No CAS ]
  • 59
  • [ 152533-47-6 ]
  • (+/-)-2-(2-Chloro-5-pyridinyl)-7-<(1,1-dimethylethoxy)carbonyl>-7-azabicyclo<2.2.1>hept-2-ene [ No CAS ]
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