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[ CAS No. 7682-20-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7682-20-4
Chemical Structure| 7682-20-4
Structure of 7682-20-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 7682-20-4 ]

CAS No. :7682-20-4 MDL No. :MFCD00136565
Formula : C4H11ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :HDBMIDJFXOYCGK-DFWYDOINSA-N
M.W : 138.60 Pubchem ID :11961924
Synonyms :
Butyramide, 2-amino-, monohydrochloride, L- (8CI);(S)-(+)-2-Aminobutanamide hydrochloride;S-2-Aminobutanamide hydrochloride;(S)-2-Aminobutyramide hydrochloride

Calculated chemistry of [ 7682-20-4 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.92
TPSA : 69.11 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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.04
Log Po/w (WLOGP) : 0.01
Log Po/w (MLOGP) : -0.39
Log Po/w (SILICOS-IT) : -0.97
Consensus Log Po/w : -0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.54
Solubility : 39.8 mg/ml ; 0.287 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 15.2 mg/ml ; 0.109 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.12
Solubility : 184.0 mg/ml ; 1.33 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.21

Safety of [ 7682-20-4 ]

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