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[ CAS No. 925240-97-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 925240-97-7
Chemical Structure| 925240-97-7
Structure of 925240-97-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 925240-97-7 ]

CAS No. :925240-97-7 MDL No. :MFCD31704916
Formula : C24H27NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZVTSJEYBSAOGMV-QFIPXVFZSA-N
M.W : 393.48 Pubchem ID :66601203
Synonyms :

Calculated chemistry of [ 925240-97-7 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.42
Num. rotatable bonds : 7
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 111.99
TPSA : 66.84 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.18
Log Po/w (XLOGP3) : 5.24
Log Po/w (WLOGP) : 4.9
Log Po/w (MLOGP) : 3.65
Log Po/w (SILICOS-IT) : 3.69
Consensus Log Po/w : 4.13

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -5.42
Solubility : 0.00148 mg/ml ; 0.00000376 mol/l
Class : Moderately soluble
Log S (Ali) : -6.39
Solubility : 0.000159 mg/ml ; 0.000000405 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.56
Solubility : 0.00109 mg/ml ; 0.00000276 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.14

Safety of [ 925240-97-7 ]

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 [ 925240-97-7 ]

* 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 [ 925240-97-7 ]

[ 925240-97-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 50-00-0 ]
  • S-(((9H-fluoren-9-yl)methoxy)carbonyl)cyclohexylglycine [ No CAS ]
  • [ 925240-97-7 ]
  • 2
  • [ 925240-97-7 ]
  • [ 593-51-1 ]
  • [ 925240-98-8 ]
  • 3
  • [ 925240-97-7 ]
  • [ 925240-99-9 ]
  • 4
  • [ 925240-97-7 ]
  • [ 925241-00-5 ]
  • 5
  • [ 925240-97-7 ]
  • (S)-N-((S)-(methylcarbamoyl)(cyclohexyl)methyl)-2-amino-N,3,3-trimethylbutyramide trifluoroacetic acid salt [ No CAS ]
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