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[ CAS No. 1212252-88-4 ] {[proInfo.proName]}

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Chemical Structure| 1212252-88-4
Chemical Structure| 1212252-88-4
Structure of 1212252-88-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1212252-88-4 ]

CAS No. :1212252-88-4 MDL No. :MFCD07772098
Formula : C12H24N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PYTGOQORCFQPSZ-SNVBAGLBSA-N
M.W : 228.33 Pubchem ID :24820503
Synonyms :

Calculated chemistry of [ 1212252-88-4 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.92
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 72.92
TPSA : 41.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.13
Log Po/w (XLOGP3) : 1.77
Log Po/w (WLOGP) : 1.23
Log Po/w (MLOGP) : 1.44
Log Po/w (SILICOS-IT) : 1.36
Consensus Log Po/w : 1.79

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.04
Solubility : 2.08 mg/ml ; 0.0091 mol/l
Class : Soluble
Log S (Ali) : -2.26
Solubility : 1.25 mg/ml ; 0.00548 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.25
Solubility : 1.28 mg/ml ; 0.00561 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.86

Safety of [ 1212252-88-4 ]

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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