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[ CAS No. 67768-61-0 ] 1-Cyclohexyl-1H-imidazole

Cat. No.: A124970
Chemical Structure| 67768-61-0
Chemical Structure| 67768-61-0
Structure of 67768-61-0 * Storage: Sealed in dry,Room Temperature

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* Storage: Sealed in dry,Room Temperature

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Product Details of [ 67768-61-0 ]

CAS No. :67768-61-0 MDL No. :MFCD14707911
Formula : C9H14N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VGZINEPOBWTUEH-UHFFFAOYSA-N
M.W : 150.22 Pubchem ID :10942619
Synonyms :

Calculated chemistry of [ 67768-61-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.67
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.41
TPSA : 17.82 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) : -5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.02
Log Po/w (XLOGP3) : 1.73
Log Po/w (WLOGP) : 2.39
Log Po/w (MLOGP) : 1.32
Log Po/w (SILICOS-IT) : 1.7
Consensus Log Po/w : 1.83

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.11 mg/ml ; 0.00739 mol/l
Class : Soluble
Log S (Ali) : -1.72
Solubility : 2.86 mg/ml ; 0.019 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.83
Solubility : 2.24 mg/ml ; 0.0149 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.46

Safety of [ 67768-61-0 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
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