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[ CAS No. 212650-43-6 ] {[proInfo.proName]}

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Chemical Structure| 212650-43-6
Chemical Structure| 212650-43-6
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Product Details of [ 212650-43-6 ]

CAS No. :212650-43-6 MDL No. :MFCD02683057
Formula : C10H17NO5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 231.25 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 212650-43-6 ]      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 : 1.0
Molar Refractivity : 59.45
TPSA : 76.07 ?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) : -7.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.96
Log Po/w (XLOGP3) : 0.37
Log Po/w (WLOGP) : 0.33
Log Po/w (MLOGP) : -0.07
Log Po/w (SILICOS-IT) : -0.1
Consensus Log Po/w : 0.5

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.24
Solubility : 13.2 mg/ml ; 0.0572 mol/l
Class : Very soluble
Log S (Ali) : -1.53
Solubility : 6.78 mg/ml ; 0.0293 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.12
Solubility : 177.0 mg/ml ; 0.764 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.13

Safety of [ 212650-43-6 ]

Signal Word:Warning Class:
Precautionary Statements:P273-P305+P351+P338 UN#:
Hazard Statements:H319-H412 Packing Group:
GHS Pictogram:
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