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[ CAS No. 848482-93-9 ] {[proInfo.proName]}

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Chemical Structure| 848482-93-9
Chemical Structure| 848482-93-9
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Product Details of [ 848482-93-9 ]

CAS No. :848482-93-9 MDL No. :MFCD02179098
Formula : C10H18N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :YRYAXQJXMBETAT-ZETCQYMHSA-N
M.W : 230.26 Pubchem ID :1501850
Synonyms :

Calculated chemistry of [ 848482-93-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 65.08
TPSA : 78.87 ?2

Pharmacokinetics

GI absorption : High
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) : -9.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : -2.19
Log Po/w (WLOGP) : -0.48
Log Po/w (MLOGP) : -2.29
Log Po/w (SILICOS-IT) : -0.41
Consensus Log Po/w : -0.69

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.38
Solubility : 547.0 mg/ml ; 2.38 mol/l
Class : Highly soluble
Log S (Ali) : 1.07
Solubility : 2670.0 mg/ml ; 11.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.43
Solubility : 85.9 mg/ml ; 0.373 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.91

Safety of [ 848482-93-9 ]

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