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[ CAS No. 24244-60-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 24244-60-8
Chemical Structure| 24244-60-8
Structure of 24244-60-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 24244-60-8 ]

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Product Details of [ 24244-60-8 ]

CAS No. :24244-60-8 MDL No. :MFCD09999263
Formula : C11H9NO2S Boiling Point : -
Linear Structure Formula :- InChI Key :MPTVNPMFAZVTJG-UHFFFAOYSA-N
M.W : 219.26 Pubchem ID :289829
Synonyms :

Calculated chemistry of [ 24244-60-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.18
TPSA : 55.41 ?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) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.48
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 3.0
Log Po/w (MLOGP) : 1.51
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : 1.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.272 mg/ml ; 0.00124 mol/l
Class : Soluble
Log S (Ali) : -2.77
Solubility : 0.373 mg/ml ; 0.0017 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.47
Solubility : 0.00736 mg/ml ; 0.0000336 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.07

Safety of [ 24244-60-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 24244-60-8 ]

* 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 [ 24244-60-8 ]

[ 24244-60-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 24244-60-8 ]
  • [ 42872-74-2 ]
  • 3-bromo-4-(pyridin-2-ylmethyl)benzonitrile [ No CAS ]
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