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[ CAS No. 6574-97-6 ] {[proInfo.proName]}

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Chemical Structure| 6574-97-6
Chemical Structure| 6574-97-6
Structure of 6574-97-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6574-97-6 ]

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Product Details of [ 6574-97-6 ]

CAS No. :6574-97-6 MDL No. :MFCD00016372
Formula : C7H3Cl2N Boiling Point : No data available
Linear Structure Formula :- InChI Key :OHDYZVVLNPXKDX-UHFFFAOYSA-N
M.W : 172.01 Pubchem ID :736567
Synonyms :

Calculated chemistry of [ 6574-97-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
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 : 41.18
TPSA : 23.79 Ų

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) : -5.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.84
Log Po/w (XLOGP3) : 2.9
Log Po/w (WLOGP) : 2.87
Log Po/w (MLOGP) : 2.63
Log Po/w (SILICOS-IT) : 3.08
Consensus Log Po/w : 2.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.18
Solubility : 0.114 mg/ml ; 0.000665 mol/l
Class : Soluble
Log S (Ali) : -3.06
Solubility : 0.15 mg/ml ; 0.000871 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.71
Solubility : 0.0335 mg/ml ; 0.000195 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 6574-97-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6574-97-6 ]

* 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 [ 6574-97-6 ]

[ 6574-97-6 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 917-64-6 ]
  • [ 6574-97-6 ]
  • [ 56041-57-7 ]
  • 2
  • [ 6574-97-6 ]
  • [ 75-16-1 ]
  • [ 56041-57-7 ]
  • 3
  • [ 459-22-3 ]
  • [ 6574-97-6 ]
  • [ 127667-04-3 ]
  • 6
  • [ 6574-97-6 ]
  • [ 141-43-5 ]
  • [ 81316-52-1 ]
  • 7
  • [ 459-22-3 ]
  • [ 6574-97-6 ]
  • [ 96-32-2 ]
  • [ 116617-02-8 ]
  • 8
  • [ 6574-97-6 ]
  • [ 75-05-8 ]
  • [ 75473-06-2 ]
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