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[ CAS No. 79775-07-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 79775-07-8
Chemical Structure| 79775-07-8
Structure of 79775-07-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 79775-07-8 ]

CAS No. :79775-07-8 MDL No. :MFCD00153445
Formula : C9H17NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 187.24 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 79775-07-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 52.87
TPSA : 58.56 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.72
Log Po/w (XLOGP3) : -1.65
Log Po/w (WLOGP) : 0.24
Log Po/w (MLOGP) : -2.06
Log Po/w (SILICOS-IT) : 0.44
Consensus Log Po/w : -0.26

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.24
Solubility : 323.0 mg/ml ; 1.72 mol/l
Class : Highly soluble
Log S (Ali) : 0.93
Solubility : 1600.0 mg/ml ; 8.54 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.91
Solubility : 23.2 mg/ml ; 0.124 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.87

Safety of [ 79775-07-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H302-H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 79775-07-8 ]

* 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 [ 79775-07-8 ]

[ 79775-07-8 ] Synthesis Path-Downstream   1~10

  • 2
  • [ 155075-23-3 ]
  • [ 79775-07-8 ]
  • 3
  • [ 155153-78-9 ]
  • [ 79775-07-8 ]
  • 4
  • [ 79433-95-7 ]
  • [ 79775-07-8 ]
  • 5
  • [ 2584-71-6 ]
  • [ 79775-07-8 ]
  • 6
  • 4S-O<SUP>4</SUP>(t-butyl)-N1(benzyloxycarbonyl)-D-proline methylester [ No CAS ]
  • [ 79775-07-8 ]
  • 7
  • [ 28920-43-6 ]
  • [ 79775-07-8 ]
  • 4S-O<SUP>4</SUP>(t-butyl)-N1-(fluorenylmethyloxycarbonyl)-D-proline [ No CAS ]
  • 8
  • C17H23NO5 [ No CAS ]
  • [ 79775-07-8 ]
  • 9
  • [ 130930-25-5 ]
  • [ 79775-07-8 ]
  • 10
  • [ 51-35-4 ]
  • [ 79775-07-8 ]
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