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[ CAS No. 24065-33-6 ] {[proInfo.proName]}

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Chemical Structure| 24065-33-6
Chemical Structure| 24065-33-6
Structure of 24065-33-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 24065-33-6 ]

CAS No. :24065-33-6 MDL No. :MFCD00041426
Formula : C5H3ClO2S Boiling Point : -
Linear Structure Formula :- InChI Key :QZLSBOVWPHXCLT-UHFFFAOYSA-N
M.W : 162.59 Pubchem ID :95048
Synonyms :

Calculated chemistry of [ 24065-33-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 36.29
TPSA : 65.54 ?2

Pharmacokinetics

GI absorption : High
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) : -5.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.32
Log Po/w (XLOGP3) : 2.42
Log Po/w (WLOGP) : 2.1
Log Po/w (MLOGP) : 1.17
Log Po/w (SILICOS-IT) : 2.58
Consensus Log Po/w : 1.92

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.72
Solubility : 0.311 mg/ml ; 0.00192 mol/l
Class : Soluble
Log S (Ali) : -3.44
Solubility : 0.0592 mg/ml ; 0.000364 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.65
Solubility : 3.67 mg/ml ; 0.0226 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 24065-33-6 ]

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 [ 24065-33-6 ]

* 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.

  • Upstream synthesis route of [ 24065-33-6 ]
  • Downstream synthetic route of [ 24065-33-6 ]

[ 24065-33-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 24065-33-6 ]
  • [ 1403383-55-0 ]
  • [ 721401-53-2 ]
Reference: [1] Patent: WO2012/140061, 2012, A1, . Location in patent: Page/Page column 37
  • 2
  • [ 24065-33-6 ]
  • [ 721401-53-2 ]
Reference: [1] Patent: WO2015/11617, 2015, A1,
[2] Patent: CN104788444, 2018, B,
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