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[ CAS No. 2923-66-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2923-66-2
Chemical Structure| 2923-66-2
Structure of 2923-66-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2923-66-2 ]

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Product Details of [ 2923-66-2 ]

CAS No. :2923-66-2 MDL No. :MFCD00042203
Formula : C8H6ClFO Boiling Point : No data available
Linear Structure Formula :- InChI Key :PCJPESKRPOTNGU-UHFFFAOYSA-N
M.W : 172.58 Pubchem ID :520422
Synonyms :

Calculated chemistry of [ 2923-66-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.6
TPSA : 17.07 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.92
Log Po/w (XLOGP3) : 2.42
Log Po/w (WLOGP) : 3.1
Log Po/w (MLOGP) : 2.79
Log Po/w (SILICOS-IT) : 3.21
Consensus Log Po/w : 2.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.292 mg/ml ; 0.00169 mol/l
Class : Soluble
Log S (Ali) : -2.42
Solubility : 0.655 mg/ml ; 0.00379 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.62
Solubility : 0.041 mg/ml ; 0.000238 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.35

Safety of [ 2923-66-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2923-66-2 ]

* 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 [ 2923-66-2 ]

[ 2923-66-2 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 50-00-0 ]
  • [ 2923-66-2 ]
  • [ 506-59-2 ]
  • [ 76475-92-8 ]
  • 2
  • [ 50-00-0 ]
  • [ 2923-66-2 ]
  • [ 660-68-4 ]
  • [ 76475-93-9 ]
  • 3
  • [ 50-00-0 ]
  • [ 2923-66-2 ]
  • [ 10024-89-2 ]
  • [ 76475-94-0 ]
  • 4
  • [ 50-00-0 ]
  • [ 2923-66-2 ]
  • [ 6091-44-7 ]
  • [ 76475-95-1 ]
  • 5
  • [ 50-00-0 ]
  • [ 2923-66-2 ]
  • [ 7542-23-6 ]
  • [ 76475-96-2 ]
  • 7
  • [ 324-03-8 ]
  • [ 2923-66-2 ]
  • 3-[2-(3-Chloro-4-fluoro-phenyl)-2-oxo-ethyl]-6-fluoro-3-hydroxy-1,3-dihydro-indol-2-one [ No CAS ]
  • 9
  • [ 93-89-0 ]
  • [ 2923-66-2 ]
  • [ 38448-97-4 ]
  • 10
  • [ 2646-30-2 ]
  • [ 2923-66-2 ]
  • [ 78864-23-0 ]
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