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[ CAS No. 29335-36-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 29335-36-2
Chemical Structure| 29335-36-2
Structure of 29335-36-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 29335-36-2 ]

CAS No. :29335-36-2 MDL No. :MFCD03426272
Formula : C3H8N2O Boiling Point : No data available
Linear Structure Formula :C2H5C(NH2)NOH InChI Key :-
M.W : 88.11 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 29335-36-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 3.0
Molar Refractivity : 23.66
TPSA : 56.11 ?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) : -7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.29
Log Po/w (XLOGP3) : -0.39
Log Po/w (WLOGP) : 0.35
Log Po/w (MLOGP) : -0.04
Log Po/w (SILICOS-IT) : -0.67
Consensus Log Po/w : -0.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.01
Solubility : 86.4 mg/ml ; 0.98 mol/l
Class : Very soluble
Log S (Ali) : -0.32
Solubility : 41.7 mg/ml ; 0.473 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.14
Solubility : 63.8 mg/ml ; 0.724 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 29335-36-2 ]

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