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[ CAS No. 191611-20-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 191611-20-8
Chemical Structure| 191611-20-8
Structure of 191611-20-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 191611-20-8 ]

CAS No. :191611-20-8 MDL No. :MFCD00050539
Formula : C8H16ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :QMUIOFNZAZPFFT-FJXQXJEOSA-N
M.W : 193.67 Pubchem ID :55251771
Synonyms :

Calculated chemistry of [ 191611-20-8 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.88
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.9
TPSA : 63.32 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) : -7.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.1
Log Po/w (WLOGP) : 1.78
Log Po/w (MLOGP) : -1.21
Log Po/w (SILICOS-IT) : 0.62
Consensus Log Po/w : 0.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.85
Solubility : 27.6 mg/ml ; 0.143 mol/l
Class : Very soluble
Log S (Ali) : -0.78
Solubility : 32.4 mg/ml ; 0.167 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.37
Solubility : 83.4 mg/ml ; 0.431 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 191611-20-8 ]

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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