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[ CAS No. 65515-28-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 65515-28-8
Chemical Structure| 65515-28-8
Structure of 65515-28-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 65515-28-8 ]

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Product Details of [ 65515-28-8 ]

CAS No. :65515-28-8 MDL No. :MFCD07369794
Formula : C7H5Cl2NO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :IFVVGOJYWCHRCT-UHFFFAOYSA-N
M.W : 206.03 Pubchem ID :11106516
Synonyms :

Calculated chemistry of [ 65515-28-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.54
TPSA : 39.19 ?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) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.1
Log Po/w (XLOGP3) : 2.63
Log Po/w (WLOGP) : 2.17
Log Po/w (MLOGP) : 1.51
Log Po/w (SILICOS-IT) : 2.49
Consensus Log Po/w : 2.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.01
Solubility : 0.2 mg/ml ; 0.000972 mol/l
Class : Soluble
Log S (Ali) : -3.1
Solubility : 0.162 mg/ml ; 0.000788 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.34
Solubility : 0.0944 mg/ml ; 0.000458 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 65515-28-8 ]

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 [ 65515-28-8 ]

* 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 [ 65515-28-8 ]

[ 65515-28-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 124-41-4 ]
  • [ 65515-28-8 ]
  • [ 65515-32-4 ]
  • [ 65515-26-6 ]
  • [ 95652-77-0 ]
  • 2
  • [ 124-41-4 ]
  • [ 65515-28-8 ]
  • [ 65515-32-4 ]
  • [ 95652-77-0 ]
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