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[ CAS No. 1524-40-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1524-40-9
Chemical Structure| 1524-40-9
Chemical Structure| 1524-40-9
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Product Details of [ 1524-40-9 ]

CAS No. :1524-40-9 MDL No. :MFCD00042284
Formula : C6H6FNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :CRINBBOGNYCAOV-UHFFFAOYSA-N
M.W : 175.18 Pubchem ID :150924
Synonyms :

Calculated chemistry of [ 1524-40-9 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.39
TPSA : 68.54 Ų

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) : -7.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.72
Log Po/w (XLOGP3) : 0.4
Log Po/w (WLOGP) : 1.97
Log Po/w (MLOGP) : 0.73
Log Po/w (SILICOS-IT) : 0.41
Consensus Log Po/w : 0.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.52
Solubility : 5.34 mg/ml ; 0.0305 mol/l
Class : Very soluble
Log S (Ali) : -1.41
Solubility : 6.88 mg/ml ; 0.0393 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.24
Solubility : 1.01 mg/ml ; 0.00577 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 1524-40-9 ]

Signal Word:Warning Class:
Precautionary Statements:P262-P280 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1524-40-9 ]

* 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 [ 1524-40-9 ]
  • Downstream synthetic route of [ 1524-40-9 ]

[ 1524-40-9 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 2557-77-9 ]
  • [ 1524-40-9 ]
Reference: [1] Organic and Biomolecular Chemistry, 2016, vol. 14, # 29, p. 6951 - 6954
  • 2
  • [ 935447-39-5 ]
  • [ 1524-40-9 ]
Reference: [1] Green Chemistry, 2015, vol. 17, # 3, p. 1395 - 1399
  • 3
  • [ 7217-41-6 ]
  • [ 1524-40-9 ]
Reference: [1] Tetrahedron, 1990, vol. 46, # 24, p. 8131 - 8142
  • 4
  • [ 128254-27-3 ]
  • [ 1524-40-9 ]
Reference: [1] Tetrahedron, 1990, vol. 46, # 24, p. 8131 - 8142
  • 5
  • [ 701-27-9 ]
  • [ 1524-40-9 ]
Reference: [1] Green Chemistry, 2015, vol. 17, # 3, p. 1395 - 1399
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