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[ CAS No. 18593-44-7 ] {[proInfo.proName]}

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Chemical Structure| 18593-44-7
Chemical Structure| 18593-44-7
Structure of 18593-44-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 18593-44-7 ]

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Product Details of [ 18593-44-7 ]

CAS No. :18593-44-7 MDL No. :MFCD00463622
Formula : C8H8N2OS Boiling Point : No data available
Linear Structure Formula :- InChI Key :QAFMGDDXMIKGEY-UHFFFAOYSA-N
M.W : 180.23 Pubchem ID :403053
Synonyms :

Calculated chemistry of [ 18593-44-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.25
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.17
TPSA : 73.99 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.42
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 1.6
Log Po/w (MLOGP) : 1.17
Log Po/w (SILICOS-IT) : 3.66
Consensus Log Po/w : 1.87

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.44
Solubility : 0.647 mg/ml ; 0.00359 mol/l
Class : Soluble
Log S (Ali) : -2.64
Solubility : 0.412 mg/ml ; 0.00229 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.28
Solubility : 0.095 mg/ml ; 0.000527 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.34

Safety of [ 18593-44-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 18593-44-7 ]

* 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 [ 18593-44-7 ]

[ 18593-44-7 ] Synthesis Path-Downstream   1~18

  • 1
  • [ 109-65-9 ]
  • [ 18593-44-7 ]
  • [ 32973-73-2 ]
  • 2
  • [ 74-96-4 ]
  • [ 18593-44-7 ]
  • [ 86009-38-3 ]
  • 3
  • [ 539-74-2 ]
  • [ 18593-44-7 ]
  • [ 108311-84-8 ]
  • 4
  • [ 18593-44-7 ]
  • [ 109-70-6 ]
  • 3-(3-Chloro-propyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one [ No CAS ]
  • 5
  • [ 18593-44-7 ]
  • [ 106-95-6 ]
  • [ 50803-33-3 ]
  • 10
  • [ 18593-44-7 ]
  • [ 927969-35-5 ]
  • 11
  • [ 18593-44-7 ]
  • [ 302952-45-0 ]
  • 12
  • [ 18593-44-7 ]
  • [ 442571-26-8 ]
  • 13
  • [ 18593-44-7 ]
  • [ 338425-01-7 ]
  • 14
  • [ 18593-44-7 ]
  • C18H18N2O2S2 [ No CAS ]
  • 15
  • [ 18593-44-7 ]
  • C13H16N2O2S2 [ No CAS ]
  • 16
  • [ 18593-44-7 ]
  • [ 442571-27-9 ]
  • 17
  • [ 18593-44-7 ]
  • [ 296262-16-3 ]
  • 18
  • C9H15NO2S [ No CAS ]
  • [ 77287-34-4 ]
  • [ 18593-44-7 ]
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[ 18593-44-7 ]

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