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[ CAS No. 40371-51-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 40371-51-5
Chemical Structure| 40371-51-5
Structure of 40371-51-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 40371-51-5 ]

CAS No. :40371-51-5 MDL No. :MFCD00674110
Formula : C4H9NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :IVUOMFWNDGNLBJ-VKHMYHEASA-N
M.W : 119.12 Pubchem ID :2733929
Synonyms :
Chemical Name :(S)-4-Amino-2-hydroxybutanoic acid

Calculated chemistry of [ 40371-51-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 26.98
TPSA : 83.55 ?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) : -9.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.41
Log Po/w (XLOGP3) : -3.69
Log Po/w (WLOGP) : -1.22
Log Po/w (MLOGP) : -1.25
Log Po/w (SILICOS-IT) : -1.19
Consensus Log Po/w : -1.39

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.94
Solubility : 10500.0 mg/ml ; 87.9 mol/l
Class : Highly soluble
Log S (Ali) : 2.52
Solubility : 39800.0 mg/ml ; 334.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.87
Solubility : 887.0 mg/ml ; 7.45 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 40371-51-5 ]

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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