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[ CAS No. 543-24-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 543-24-8
Chemical Structure| 543-24-8
Structure of 543-24-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 543-24-8 ]

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Product Details of [ 543-24-8 ]

CAS No. :543-24-8 MDL No. :MFCD00004275
Formula : C4H7NO3 Boiling Point : -
Linear Structure Formula :CH3CONHCH2CO2H InChI Key :OKJIRPAQVSHGFK-UHFFFAOYSA-N
M.W : 117.10 Pubchem ID :10972
Synonyms :

Calculated chemistry of [ 543-24-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 26.12
TPSA : 66.4 ?2

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) : -7.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.67
Log Po/w (XLOGP3) : -1.18
Log Po/w (WLOGP) : -0.79
Log Po/w (MLOGP) : -0.95
Log Po/w (SILICOS-IT) : -0.8
Consensus Log Po/w : -0.61

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 0.38
Solubility : 278.0 mg/ml ; 2.37 mol/l
Class : Highly soluble
Log S (Ali) : 0.28
Solubility : 223.0 mg/ml ; 1.9 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.01
Solubility : 119.0 mg/ml ; 1.02 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 543-24-8 ]

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 [ 543-24-8 ]

* 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 [ 543-24-8 ]

[ 543-24-8 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 2314-36-5 ]
  • [ 108-24-7 ]
  • [ 543-24-8 ]
  • [ 14886-17-0 ]
  • 2
  • [ 543-24-8 ]
  • [ 1022-13-5 ]
  • [ 54888-03-8 ]
  • 3
  • [ 5417-17-4 ]
  • [ 543-24-8 ]
  • 4-[1-(2-Chloro-3,4-dimethoxy-phenyl)-meth-(Z)-ylidene]-2-methyl-4H-oxazol-5-one [ No CAS ]
  • 4
  • [ 2314-36-5 ]
  • [ 127-09-3 ]
  • [ 108-24-7 ]
  • [ 543-24-8 ]
  • [ 910635-09-5 ]
  • 5
  • [ 2314-36-5 ]
  • [ 108-24-7 ]
  • [ 543-24-8 ]
  • [ 1539318-30-3 ]
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