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[ CAS No. 148256-63-7 ] {[proInfo.proName]}

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Chemical Structure| 148256-63-7
Chemical Structure| 148256-63-7
Structure of 148256-63-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 148256-63-7 ]

CAS No. :148256-63-7 MDL No. :MFCD00274315
Formula : C16H26Br2S Boiling Point : No data available
Linear Structure Formula :C4HSBr2(C12H25) InChI Key :ZIZGNWAMVWNAJT-UHFFFAOYSA-N
M.W : 410.25 Pubchem ID :5072754
Synonyms :

Calculated chemistry of [ 148256-63-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.75
Num. rotatable bonds : 11
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 97.56
TPSA : 28.24 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -1.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.96
Log Po/w (XLOGP3) : 9.86
Log Po/w (WLOGP) : 7.74
Log Po/w (MLOGP) : 6.08
Log Po/w (SILICOS-IT) : 8.38
Consensus Log Po/w : 7.4

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -8.06
Solubility : 0.00000354 mg/ml ; 0.0000000086 mol/l
Class : Poorly soluble
Log S (Ali) : -10.38
Solubility : 0.0000000173 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -8.12
Solubility : 0.00000309 mg/ml ; 0.0000000075 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.78

Safety of [ 148256-63-7 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
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