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[ CAS No. 1341036-75-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1341036-75-6
Chemical Structure| 1341036-75-6
Chemical Structure| 1341036-75-6
Structure of 1341036-75-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1341036-75-6 ]

CAS No. :1341036-75-6 MDL No. :MFCD24384484
Formula : C14H26N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :CJMRYBSIKXAGFU-UHFFFAOYSA-N
M.W : 254.37 Pubchem ID :71630750
Synonyms :

Calculated chemistry of [ 1341036-75-6 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.93
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 76.15
TPSA : 55.56 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) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.08
Log Po/w (XLOGP3) : 1.52
Log Po/w (WLOGP) : 1.99
Log Po/w (MLOGP) : 1.97
Log Po/w (SILICOS-IT) : 1.5
Consensus Log Po/w : 2.01

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.11
Solubility : 1.97 mg/ml ; 0.00775 mol/l
Class : Soluble
Log S (Ali) : -2.3
Solubility : 1.29 mg/ml ; 0.00507 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.14
Solubility : 1.83 mg/ml ; 0.00719 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.62

Safety of [ 1341036-75-6 ]

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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