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[ CAS No. 7569-26-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7569-26-8
Chemical Structure| 7569-26-8
Structure of 7569-26-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7569-26-8 ]

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Product Details of [ 7569-26-8 ]

CAS No. :7569-26-8 MDL No. :MFCD00134281
Formula : C8H9ClO2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZQPJNJKCPJDTIQ-UHFFFAOYSA-N
M.W : 204.67 Pubchem ID :562845
Synonyms :

Calculated chemistry of [ 7569-26-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.3
TPSA : 42.52 ?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) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 1.6
Log Po/w (WLOGP) : 3.05
Log Po/w (MLOGP) : 2.16
Log Po/w (SILICOS-IT) : 2.08
Consensus Log Po/w : 2.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.35
Solubility : 0.904 mg/ml ; 0.00442 mol/l
Class : Soluble
Log S (Ali) : -2.1
Solubility : 1.61 mg/ml ; 0.00786 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.74
Solubility : 0.0376 mg/ml ; 0.000184 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.02

Safety of [ 7569-26-8 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7569-26-8 ]

* 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 [ 7569-26-8 ]

[ 7569-26-8 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 1120-95-2 ]
  • [ 7569-26-8 ]
  • [ 143998-61-2 ]
  • 2
  • [ 322-46-3 ]
  • [ 7569-26-8 ]
  • [ 129919-49-9 ]
  • [ 129919-45-5 ]
  • 3
  • [ 322-46-3 ]
  • [ 7569-26-8 ]
  • [ 129919-45-5 ]
  • 4
  • [ 3920-38-5 ]
  • [ 7569-26-8 ]
  • [ 119071-38-4 ]
  • 5
  • [ 3034-47-7 ]
  • [ 7569-26-8 ]
  • 2-Chloro-5-nitro-4-(toluene-4-sulfonylmethyl)-thiazole [ No CAS ]
  • 6
  • [ 7569-26-8 ]
  • [ 3034-48-8 ]
  • 2-Bromo-5-nitro-4-(toluene-4-sulfonylmethyl)-thiazole [ No CAS ]
  • 7
  • [ 7569-26-8 ]
  • [ 16155-03-6 ]
  • [ 1253422-25-1 ]
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Technical Information

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