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[ CAS No. 10148-71-7 ] {[proInfo.proName]}

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Chemical Structure| 10148-71-7
Chemical Structure| 10148-71-7
Structure of 10148-71-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10148-71-7 ]

CAS No. :10148-71-7 MDL No. :MFCD00142983
Formula : C6H13NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZAYJDMWJYCTABM-CRCLSJGQSA-N
M.W : 147.17 Pubchem ID :6994743
Synonyms :

Calculated chemistry of [ 10148-71-7 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 36.6
TPSA : 83.55 Ų

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) : -8.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.04
Log Po/w (XLOGP3) : -1.98
Log Po/w (WLOGP) : -0.58
Log Po/w (MLOGP) : -2.67
Log Po/w (SILICOS-IT) : -0.82
Consensus Log Po/w : -1.0

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.69
Solubility : 726.0 mg/ml ; 4.93 mol/l
Class : Highly soluble
Log S (Ali) : 0.75
Solubility : 826.0 mg/ml ; 5.61 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.78
Solubility : 889.0 mg/ml ; 6.04 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.0

Safety of [ 10148-71-7 ]

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:
Same Skeleton Products
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