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[ CAS No. 2551-73-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2551-73-7
Chemical Structure| 2551-73-7
Structure of 2551-73-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2551-73-7 ]

CAS No. :2551-73-7 MDL No. :MFCD01746693
Formula : C16H24N6O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :SQYPEJLKAOZVHW-UHFFFAOYSA-N
M.W : 396.46 Pubchem ID :44123848
Synonyms :

Calculated chemistry of [ 2551-73-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.12
Num. rotatable bonds : 6
Num. H-bond acceptors : 6.0
Num. H-bond donors : 8.0
Molar Refractivity : 104.85
TPSA : 206.78 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.75
Log Po/w (XLOGP3) : -0.28
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : 0.65
Consensus Log Po/w : 0.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.05
Solubility : 3.5 mg/ml ; 0.00882 mol/l
Class : Soluble
Log S (Ali) : -3.6
Solubility : 0.0989 mg/ml ; 0.000249 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.57
Solubility : 1.07 mg/ml ; 0.0027 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.46

Safety of [ 2551-73-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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