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[ CAS No. 1188264-02-9 ] {[proInfo.proName]}

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Chemical Structure| 1188264-02-9
Chemical Structure| 1188264-02-9
Structure of 1188264-02-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1188264-02-9 ]

CAS No. :1188264-02-9 MDL No. :MFCD11101326
Formula : C9H21ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :KKHKFPWJJYTAGE-UHFFFAOYSA-N
M.W : 224.73 Pubchem ID :45072253
Synonyms :

Calculated chemistry of [ 1188264-02-9 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.89
Num. rotatable bonds : 7
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 59.66
TPSA : 50.36 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) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.66
Log Po/w (WLOGP) : 1.92
Log Po/w (MLOGP) : 1.26
Log Po/w (SILICOS-IT) : 0.62
Consensus Log Po/w : 1.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.82
Solubility : 3.42 mg/ml ; 0.0152 mol/l
Class : Very soluble
Log S (Ali) : -2.33
Solubility : 1.05 mg/ml ; 0.00466 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.49
Solubility : 0.732 mg/ml ; 0.00326 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.27

Safety of [ 1188264-02-9 ]

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:
Same Skeleton Products
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