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[ CAS No. 144942-89-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 144942-89-2
Chemical Structure| 144942-89-2
Structure of 144942-89-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 144942-89-2 ]

CAS No. :144942-89-2 MDL No. :MFCD22017475
Formula : C5H11NO3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZCQVVSMJNBNDAQ-UHFFFAOYSA-N
M.W : 133.15 Pubchem ID :14462389
Synonyms :
Chemical Name :3-(2-Aminoethoxy)propanoic acid

Calculated chemistry of [ 144942-89-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 31.71
TPSA : 72.55 ?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) : -9.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.02
Log Po/w (XLOGP3) : -3.64
Log Po/w (WLOGP) : -0.56
Log Po/w (MLOGP) : -0.84
Log Po/w (SILICOS-IT) : -0.54
Consensus Log Po/w : -0.91

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.96
Solubility : 12100.0 mg/ml ; 90.7 mol/l
Class : Highly soluble
Log S (Ali) : 2.7
Solubility : 67100.0 mg/ml ; 504.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.22
Solubility : 80.0 mg/ml ; 0.601 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 144942-89-2 ]

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