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[ CAS No. 14328-64-4 ] {[proInfo.proName]}

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Chemical Structure| 14328-64-4
Chemical Structure| 14328-64-4
Structure of 14328-64-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14328-64-4 ]

CAS No. :14328-64-4 MDL No. :MFCD08275848
Formula : C9H18ClNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ORJOGDRCFDWIIJ-DDWIOCJRSA-N
M.W : 207.70 Pubchem ID :56777252
Synonyms :
Chemical Name :(R)-Methyl 2-amino-2-cyclohexylacetate hydrochloride

Calculated chemistry of [ 14328-64-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.22
TPSA : 52.32 ?2

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) : -5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.51
Log Po/w (WLOGP) : 1.87
Log Po/w (MLOGP) : 1.31
Log Po/w (SILICOS-IT) : 1.11
Consensus Log Po/w : 1.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.51
Solubility : 0.64 mg/ml ; 0.00308 mol/l
Class : Soluble
Log S (Ali) : -3.25
Solubility : 0.116 mg/ml ; 0.000556 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.08
Solubility : 17.4 mg/ml ; 0.0838 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 14328-64-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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