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[ CAS No. 2163-00-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2163-00-0
Chemical Structure| 2163-00-0
Structure of 2163-00-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2163-00-0 ]

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Product Details of [ 2163-00-0 ]

CAS No. :2163-00-0 MDL No. :MFCD00001020
Formula : C6H12Cl2 Boiling Point : -
Linear Structure Formula :- InChI Key :OVISMSJCKCDOPU-UHFFFAOYSA-N
M.W : 155.07 Pubchem ID :16551
Synonyms :

Calculated chemistry of [ 2163-00-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.55
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.42
Log Po/w (XLOGP3) : 2.84
Log Po/w (WLOGP) : 3.02
Log Po/w (MLOGP) : 3.29
Log Po/w (SILICOS-IT) : 3.02
Consensus Log Po/w : 2.92

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.26
Solubility : 0.851 mg/ml ; 0.00549 mol/l
Class : Soluble
Log S (Ali) : -2.5
Solubility : 0.492 mg/ml ; 0.00317 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.52
Solubility : 0.0463 mg/ml ; 0.000299 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 2163-00-0 ]

Signal Word:Danger Class:9
Precautionary Statements:P210-P264-P273-P280-P301+P310-P302+P352-P312-P331-P332+P313-P370+P378-P391-P403+P235-P405-P501 UN#:3082
Hazard Statements:H227-H303-H304-H315-H411 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2163-00-0 ]

* 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 [ 2163-00-0 ]

[ 2163-00-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 127818-58-0 ]
  • [ 2163-00-0 ]
  • [ 93354-58-6 ]
  • 2
  • [ 78430-91-8 ]
  • [ 2163-00-0 ]
  • 3,3'-(hexane-1,6-diyl)bis(1-(4-vinylbenzyl)-1H-imidazol-3-ium) chloride [ No CAS ]
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