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[ CAS No. 143-18-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 143-18-0
Chemical Structure| 143-18-0
Structure of 143-18-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 143-18-0 ]

CAS No. :143-18-0 MDL No. :MFCD00064243
Formula : C18H33KO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MLICVSDCCDDWMD-KVVVOXFISA-M
M.W : 320.55 Pubchem ID :23665571
Synonyms :

Calculated chemistry of [ 143-18-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 15
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 88.0
TPSA : 40.13 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -2.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : -6.54
Log Po/w (XLOGP3) : 7.64
Log Po/w (WLOGP) : 4.77
Log Po/w (MLOGP) : 4.57
Log Po/w (SILICOS-IT) : 5.95
Consensus Log Po/w : 3.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.65
Solubility : 0.000717 mg/ml ; 0.00000224 mol/l
Class : Moderately soluble
Log S (Ali) : -8.32
Solubility : 0.00000153 mg/ml ; 0.0000000048 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.39
Solubility : 0.00129 mg/ml ; 0.00000404 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.2

Safety of [ 143-18-0 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P305+P351+P338-P337+P313 UN#:
Hazard Statements:H319 Packing Group:
GHS Pictogram:
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