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[ CAS No. 263349-73-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 263349-73-1
Chemical Structure| 263349-73-1
Structure of 263349-73-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 263349-73-1 ]

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Product Details of [ 263349-73-1 ]

CAS No. :263349-73-1 MDL No. :MFCD03094292
Formula : C6H5BrFNO2S Boiling Point : No data available
Linear Structure Formula :- InChI Key :QTICZSSQSQDJEX-UHFFFAOYSA-N
M.W : 254.08 Pubchem ID :2778404
Synonyms :

Calculated chemistry of [ 263349-73-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
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 : 45.09
TPSA : 68.54 ?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) : -6.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.28
Log Po/w (XLOGP3) : 1.58
Log Po/w (WLOGP) : 2.74
Log Po/w (MLOGP) : 1.5
Log Po/w (SILICOS-IT) : 1.12
Consensus Log Po/w : 1.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.71
Solubility : 0.49 mg/ml ; 0.00193 mol/l
Class : Soluble
Log S (Ali) : -2.63
Solubility : 0.595 mg/ml ; 0.00234 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.1
Solubility : 0.202 mg/ml ; 0.000794 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.97

Safety of [ 263349-73-1 ]

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