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[ CAS No. 1824282-29-2 ]

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3d Animation Molecule Structure of 1824282-29-2
Chemical Structure| 1824282-29-2
Chemical Structure| 1824282-29-2
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Product Details of [ 1824282-29-2 ]

CAS No. :1824282-29-2 MDL No. :MFCD19689605
Formula : C15H18N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RMKRHOFUUVQKGO-UHFFFAOYSA-N
M.W :258.32 Pubchem ID :73553300
Synonyms :

Calculated chemistry of [ 1824282-29-2 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.33
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 76.95
TPSA : 51.22 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.12
Log Po/w (XLOGP3) : 3.15
Log Po/w (WLOGP) : 3.7
Log Po/w (MLOGP) : 2.26
Log Po/w (SILICOS-IT) : 2.79
Consensus Log Po/w : 3.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.55
Solubility : 0.0725 mg/ml ; 0.000281 mol/l
Class : Soluble
Log S (Ali) : -3.9
Solubility : 0.0329 mg/ml ; 0.000127 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.04
Solubility : 0.00234 mg/ml ; 0.00000906 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.46

Safety of [ 1824282-29-2 ]

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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