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[ CAS No. 156150-67-3 ] {[proInfo.proName]}

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Chemical Structure| 156150-67-3
Chemical Structure| 156150-67-3
Structure of 156150-67-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 156150-67-3 ]

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Product Details of [ 156150-67-3 ]

CAS No. :156150-67-3 MDL No. :MFCD00042210
Formula : C6H3ClFI Boiling Point : No data available
Linear Structure Formula :- InChI Key :OMASDGWBVAVFQZ-UHFFFAOYSA-N
M.W : 256.44 Pubchem ID :2724605
Synonyms :

Calculated chemistry of [ 156150-67-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.13
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.24
Log Po/w (XLOGP3) : 3.3
Log Po/w (WLOGP) : 3.5
Log Po/w (MLOGP) : 4.22
Log Po/w (SILICOS-IT) : 3.89
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.0
Solubility : 0.0255 mg/ml ; 0.0000995 mol/l
Class : Moderately soluble
Log S (Ali) : -2.98
Solubility : 0.271 mg/ml ; 0.00106 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.25
Solubility : 0.0146 mg/ml ; 0.0000568 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.27

Safety of [ 156150-67-3 ]

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

Application In Synthesis of [ 156150-67-3 ]

* 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 [ 156150-67-3 ]

[ 156150-67-3 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 156150-67-3 ]
  • [ 462-06-6 ]
  • [ 348-51-6 ]
  • [ 71-43-2 ]
  • 4
  • [ 675-10-5 ]
  • [ 463-49-0 ]
  • [ 156150-67-3 ]
  • 3-[2-(3-chloro-4-fluorophenyl)prop-2-en-1-yl]-4-hydroxy-6-methyl-2H-pyran-2-one [ No CAS ]
  • 5
  • [ 1076-38-6 ]
  • [ 463-49-0 ]
  • [ 156150-67-3 ]
  • 3-{2-[3-chloro-4-fluorophenyl]prop-2-en-1-yl}-4-hydroxy-2H-chromen-2-one [ No CAS ]
  • 6
  • [ 13252-83-0 ]
  • [ 463-49-0 ]
  • [ 156150-67-3 ]
  • 3-[2-(3-chloro-4-fluorophenyl)prop-2-en-1-yl]-4-hydroxy-6-methyl-2H-chromen-2-one [ No CAS ]
  • 7
  • [ 156150-67-3 ]
  • [ 1122-91-4 ]
  • 3'-chloro-4'-fluoro[1,1'-biphenyl]-4-carbaldehyde [ No CAS ]
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